|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 34 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
140 |
0.37 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
713 |
0.33 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
34 |
0.40 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
690 |
0.33 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
18 |
0.42 |
Binding ≤ 10μM |
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
98 |
0.38 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
689 |
0.33 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
45 |
0.40 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
21 |
0.41 |
Binding ≤ 10μM |
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
290 |
0.35 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
794 |
0.33 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
93 |
0.38 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
94 |
0.38 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
2170 |
0.30 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
16 |
0.42 |
Binding ≤ 10μM |
COX2-1-E |
Cytochrome C Oxidase Subunit 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
60 |
0.39 |
Binding ≤ 10μM
|
MK14-1-E |
MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
810 |
0.33 |
Binding ≤ 10μM
|
PGH1-1-E |
Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
9730 |
0.27 |
Binding ≤ 10μM
|
PGH2-4-E |
Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
9 |
0.43 |
Binding ≤ 10μM
|
Q8HZR1-1-E |
Cyclooxygenase-1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5570 |
0.28 |
Binding ≤ 10μM
|
Q8SPQ9-2-E |
Cyclooxygenase-2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
900 |
0.33 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
21 |
0.41 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
290 |
0.35 |
Functional ≤ 10μM
|
PGH1-1-E |
Cyclooxygenase-1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2000 |
0.31 |
Functional ≤ 10μM
|
PGH2-1-E |
Cyclooxygenase-2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3600 |
0.29 |
Functional ≤ 10μM
|
CP2C9-1-E |
Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
10000 |
0.27 |
ADME/T ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
108 |
0.38 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
21 |
0.41 |
Binding ≤ 10μM
|
Z100741-1-O |
MC9 (Mast Cells) (cluster #1 Of 2), Other |
Other |
400 |
0.34 |
Functional ≤ 10μM
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 9), Other |
Other |
6670 |
0.28 |
Functional ≤ 10μM
|
Z80548-1-O |
THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other |
Other |
5000 |
0.29 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
3.61 |
5.33 |
-11.94 |
2 |
5 |
0 |
78 |
381.379 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 12 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
190 |
0.59 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
2010 |
0.50 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
872 |
0.53 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
431 |
0.56 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
79 |
0.62 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
374 |
0.56 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
56 |
0.63 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
23 |
0.67 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
345 |
0.57 |
Binding ≤ 10μM |
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
95 |
0.61 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
9 |
0.70 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
380 |
0.56 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
81 |
0.62 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
91 |
0.62 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
79 |
0.62 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
6 |
0.72 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
501 |
0.55 |
Binding ≤ 10μM
|
CAH1-2-E |
Carbonic Anhydrase I (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
1200 |
0.52 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
38 |
0.65 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
380 |
0.56 |
Functional ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
103 |
0.61 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
910 |
0.53 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.54 |
-4.57 |
-13.7 |
4 |
6 |
0 |
120 |
305.164 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
2510 |
0.65 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
650 |
0.72 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
58 |
0.84 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
6895 |
0.60 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
80 |
0.83 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
9600 |
0.59 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3400 |
0.64 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
1090 |
0.70 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
68 |
0.84 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
48 |
0.85 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
562 |
0.73 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.17 |
-2.59 |
-9.88 |
5 |
5 |
0 |
98 |
187.224 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Vendors
And 61 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
3930 |
0.69 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
454 |
0.81 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
7110 |
0.66 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
9840 |
0.64 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
364 |
0.82 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
37 |
0.95 |
Binding ≤ 10μM |
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
32 |
0.95 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
5400 |
0.67 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
9610 |
0.64 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
988 |
0.76 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
3000 |
0.70 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
1360 |
0.75 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3650 |
0.69 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
941 |
0.77 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
70 |
0.91 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
294 |
0.83 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Functional ≤ 10μM
|
CAH9-2-E |
Carbonic Anhydrase IX (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
294 |
0.83 |
Functional ≤ 10μM
|
Q3I4V7-3-F |
Carbonic Anhydrase 2 (cluster #3 Of 4), Fungal |
Fungi |
770 |
0.78 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
7630 |
0.65 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.29 |
-2.67 |
-10.63 |
4 |
4 |
0 |
86 |
172.209 |
1 |
↓
|
|
|
Analogs
-
1530622
-
-
1530619
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 36 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
410 |
0.47 |
Binding ≤ 10μM
|
CYNT-3-B |
Carbonic Anhydrase (cluster #3 Of 3), Bacterial |
Bacteria |
99 |
0.52 |
Binding ≤ 10μM
|
P96878-2-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #2 Of 2), Bacterial |
Bacteria |
137 |
0.51 |
Binding ≤ 10μM
|
Y1284-2-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #2 Of 2), Bacterial |
Bacteria |
744 |
0.45 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
18 |
0.57 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
113 |
0.51 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
500 |
0.46 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4 |
0.62 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
18 |
0.57 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
27 |
0.56 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
61 |
0.53 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
9000 |
0.37 |
Binding ≤ 10μM |
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
8000 |
0.38 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
45 |
0.54 |
Binding ≤ 10μM
|
CAH5A-3-E |
Carbonic Anhydrase VA (cluster #3 Of 10), Eukaryotic |
Eukaryotes |
42 |
0.54 |
Binding ≤ 10μM
|
CAH5B-3-E |
Carbonic Anhydrase VB (cluster #3 Of 9), Eukaryotic |
Eukaryotes |
33 |
0.55 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
10 |
0.59 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
4 |
0.62 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
52 |
0.54 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
110 |
0.51 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
9 |
0.59 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.18 |
-2.47 |
-67.13 |
4 |
6 |
1 |
111 |
325.457 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.18 |
-2.98 |
-51.75 |
2 |
6 |
-1 |
104 |
323.441 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-0.18 |
-1.99 |
-75.56 |
3 |
6 |
0 |
108 |
324.449 |
3 |
↓
|
|
|
Analogs
-
1530900
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 15 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-2-B |
Carbonic Anhydrase (cluster #2 Of 3), Bacterial |
Bacteria |
127 |
0.42 |
Binding ≤ 10μM
|
P96878-2-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #2 Of 2), Bacterial |
Bacteria |
201 |
0.41 |
Binding ≤ 10μM
|
Y1284-2-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #2 Of 2), Bacterial |
Bacteria |
839 |
0.37 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
48 |
0.45 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
169 |
0.41 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
450 |
0.39 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3 |
0.52 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
10 |
0.49 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
24 |
0.46 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
61 |
0.44 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
9 |
0.49 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
45 |
0.45 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
50 |
0.44 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
30 |
0.46 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
1 |
0.55 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
3 |
0.52 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
47 |
0.45 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
114 |
0.42 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
3 |
0.52 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.34 |
-2.86 |
-67.56 |
4 |
8 |
1 |
123 |
384.525 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
-3.86 |
-18.18 |
3 |
8 |
0 |
119 |
383.517 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
-3.38 |
-48.71 |
2 |
8 |
-1 |
116 |
382.509 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ABL1-1-E |
Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
42 |
0.26 |
Binding ≤ 10μM
|
BCR-1-E |
Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
42 |
0.26 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
29 |
0.27 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
302 |
0.23 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
4665 |
0.19 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
223 |
0.24 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
79 |
0.25 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
4 |
0.30 |
Binding ≤ 10μM
|
CAH3-5-E |
Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
443 |
0.23 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
446 |
0.23 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
5485 |
0.19 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
461 |
0.23 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
99 |
0.25 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
42 |
0.26 |
Binding ≤ 10μM
|
CSF1R-1-E |
Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
677 |
0.22 |
Binding ≤ 10μM
|
DDR1-1-E |
Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4 |
0.30 |
Binding ≤ 10μM
|
DDR2-1-E |
Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5 |
0.30 |
Binding ≤ 10μM
|
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
217 |
0.24 |
Binding ≤ 10μM
|
PGFRA-1-E |
Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
71 |
0.26 |
Binding ≤ 10μM
|
PGFRB-1-E |
Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
71 |
0.26 |
Binding ≤ 10μM
|
RAF1-1-E |
Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1100 |
0.21 |
Binding ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
7 |
0.29 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
4.99 |
2.61 |
-18.18 |
2 |
8 |
0 |
97 |
529.526 |
7 |
↓
|
|
|
Analogs
-
57008
-
-
4214355
-
-
32251779
-
-
32251782
-
-
731
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 22 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
266 |
0.40 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
2300 |
0.34 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
430 |
0.39 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
415 |
0.39 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
1200 |
0.36 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4 |
0.51 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
73 |
0.43 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
40 |
0.45 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
40 |
0.45 |
Binding ≤ 10μM
|
CAH5A-10-E |
Carbonic Anhydrase VA (cluster #10 Of 10), Eukaryotic |
Eukaryotes |
174 |
0.41 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
18 |
0.47 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
1 |
0.55 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
31 |
0.46 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
46 |
0.45 |
Binding ≤ 10μM
|
DRD1-1-E |
Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
8 |
0.49 |
Binding ≤ 10μM
|
DRD4-2-E |
Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
DRD5-1-E |
Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1200 |
0.36 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
40 |
0.45 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
620 |
0.38 |
Functional ≤ 10μM
|
DRD2-1-E |
Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
233 |
0.40 |
Functional ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
66 |
0.44 |
Functional ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
200 |
0.41 |
Binding ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
2700 |
0.34 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
124 |
0.42 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
760 |
0.37 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
1.15 |
1.84 |
-45.9 |
4 |
7 |
1 |
103 |
342.441 |
6 |
↓
|
|
|
Analogs
-
4214355
-
-
32251779
-
-
32251782
-
-
20229
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 35 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
266 |
0.40 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
2300 |
0.34 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
430 |
0.39 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
415 |
0.39 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
1200 |
0.36 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4 |
0.51 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
73 |
0.43 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
40 |
0.45 |
Binding ≤ 10μM
|
CAH5A-10-E |
Carbonic Anhydrase VA (cluster #10 Of 10), Eukaryotic |
Eukaryotes |
174 |
0.41 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
18 |
0.47 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
1 |
0.55 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
46 |
0.45 |
Binding ≤ 10μM
|
DRD1-1-E |
Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
210 |
0.41 |
Binding ≤ 10μM
|
DRD1-1-E |
Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
8 |
0.49 |
Binding ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
88 |
0.43 |
Binding ≤ 10μM
|
DRD4-2-E |
Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
210 |
0.41 |
Binding ≤ 10μM
|
DRD4-2-E |
Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
DRD5-1-E |
Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
210 |
0.41 |
Binding ≤ 10μM
|
DRD5-1-E |
Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1200 |
0.36 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
40 |
0.45 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
620 |
0.38 |
Functional ≤ 10μM
|
DRD2-1-E |
Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Functional ≤ 10μM
|
DRD2-1-E |
Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
233 |
0.40 |
Functional ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
66 |
0.44 |
Functional ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
7 |
0.50 |
Binding ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
200 |
0.41 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
124 |
0.42 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
760 |
0.37 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
1.15 |
2.65 |
-45.11 |
4 |
7 |
1 |
103 |
342.441 |
6 |
↓
|
|
|
Analogs
-
32112426
-
-
32122427
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
6360 |
0.33 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
3210 |
0.35 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
2210 |
0.36 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
612 |
0.40 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
30 |
0.48 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
661 |
0.39 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
164 |
0.43 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4 |
0.53 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
2 |
0.55 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
49 |
0.47 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
46 |
0.47 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
72 |
0.45 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
176 |
0.43 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
24 |
0.48 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
55 |
0.46 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
6 |
0.52 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
31 |
0.48 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
166 |
0.43 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
46 |
0.47 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.17 |
-2.65 |
-18.26 |
5 |
7 |
0 |
132 |
341.414 |
5 |
↓
|
|
|
Analogs
-
32149373
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 42 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
610 |
0.54 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
49 |
0.64 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
1720 |
0.50 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
295 |
0.57 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
840 |
0.53 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
8400 |
0.44 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
44 |
0.64 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
570 |
0.55 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
757 |
0.54 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
90 |
0.62 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
9700 |
0.44 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
160 |
0.59 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
4170 |
0.47 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
6210 |
0.46 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
608 |
0.54 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
210 |
0.58 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
39 |
0.65 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
169 |
0.59 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
874 |
0.53 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.66 |
-6.82 |
-16.51 |
6 |
7 |
0 |
146 |
285.734 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
45 |
0.57 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
123 |
0.54 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
374 |
0.50 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
65 |
0.56 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
9000 |
0.39 |
Binding ≤ 10μM |
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
134 |
0.53 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
43 |
0.57 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
664 |
0.48 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
5160 |
0.41 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
1020 |
0.47 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
9 |
0.63 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.51 |
-1.18 |
-19.49 |
2 |
6 |
0 |
98 |
290.366 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 53 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
1083 |
0.64 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
8210 |
0.55 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
435 |
0.69 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
607 |
0.67 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
3400 |
0.59 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
34 |
0.80 |
Binding ≤ 10μM
|
CAH14-4-E |
Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
780 |
0.66 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
4650 |
0.57 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
151 |
0.73 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
86 |
0.76 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
2650 |
0.60 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
1560 |
0.63 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
887 |
0.65 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
52 |
0.78 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
346 |
0.70 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
861 |
0.65 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.54 |
0.02 |
-49.28 |
2 |
5 |
-1 |
100 |
200.195 |
2 |
↓
|
|
|
Analogs
-
32146837
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 19 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
950 |
0.44 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
412 |
0.47 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
8100 |
0.38 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
367 |
0.47 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
481 |
0.47 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
7500 |
0.38 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
45 |
0.54 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
680 |
0.45 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
926 |
0.44 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
63 |
0.53 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
240 |
0.49 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
9400 |
0.37 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
6560 |
0.38 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
955 |
0.44 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
100 |
0.52 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
24 |
0.56 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
223 |
0.49 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
63 |
0.53 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.44 |
-6.13 |
-16.59 |
6 |
7 |
0 |
146 |
319.286 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 104 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
8500 |
0.59 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
873 |
0.71 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
7330 |
0.60 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
8690 |
0.59 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
83 |
0.83 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
508 |
0.73 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
41 |
0.86 |
Binding ≤ 10μM
|
CAH14-8-E |
Carbonic Anhydrase XIV (cluster #8 Of 8), Eukaryotic |
Eukaryotes |
3200 |
0.64 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
970 |
0.70 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
4000 |
0.63 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
2800 |
0.65 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
920 |
0.70 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
920 |
0.70 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
4800 |
0.62 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
75 |
0.83 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
103 |
0.82 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
433 |
0.74 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
170 |
0.79 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.18 |
-2.51 |
-57.02 |
5 |
4 |
1 |
88 |
187.244 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.18 |
-2.91 |
-10.08 |
4 |
4 |
0 |
86 |
186.236 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 49 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
473 |
0.81 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
4920 |
0.68 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
614 |
0.79 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
516 |
0.80 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
2 |
1.11 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
7990 |
0.65 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
580 |
0.79 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
7900 |
0.65 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
4700 |
0.68 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
2430 |
0.71 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
1582 |
0.74 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
88 |
0.90 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
460 |
0.81 |
Binding ≤ 10μM
|
Q5AJ71-2-F |
Carbonic Anhydrase (cluster #2 Of 4), Fungal |
Fungi |
320 |
0.83 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
1.08 |
0.13 |
-9.72 |
2 |
3 |
0 |
60 |
171.221 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
2630 |
0.43 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
33 |
0.58 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
750 |
0.48 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
25 |
0.59 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
868 |
0.47 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
750 |
0.48 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3 |
0.66 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
89 |
0.55 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
67 |
0.56 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
91 |
0.55 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
154 |
0.53 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
86 |
0.55 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
7 |
0.63 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
16 |
0.61 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
15 |
0.61 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
33 |
0.58 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.62 |
0.87 |
-14.4 |
5 |
7 |
0 |
124 |
265.298 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.62 |
1.36 |
-43.46 |
6 |
7 |
1 |
125 |
266.306 |
3 |
↓
|
|
|
Analogs
-
37055128
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
465 |
0.81 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
9230 |
0.64 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
553 |
0.80 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
675 |
0.79 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
85 |
0.90 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
43 |
0.94 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
6500 |
0.66 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
8805 |
0.64 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
295 |
0.83 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
1310 |
0.75 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
9560 |
0.64 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
772 |
0.78 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
45 |
0.94 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
33 |
0.95 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
82 |
0.90 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
295 |
0.83 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.07 |
-2.33 |
-10.03 |
4 |
4 |
0 |
86 |
172.209 |
1 |
↓
|
|
|
Analogs
-
37138061
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
280 |
0.76 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
463 |
0.74 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
40 |
0.86 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
6500 |
0.61 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
104 |
0.81 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
540 |
0.73 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
6500 |
0.61 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
20 |
0.90 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
54 |
0.85 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
15 |
0.91 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
83 |
0.83 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
7320 |
0.60 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
66 |
0.84 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
7600 |
0.60 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3540 |
0.64 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
4680 |
0.62 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
150 |
0.80 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
269 |
0.77 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
248 |
0.77 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
408 |
0.75 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.85 |
-1.96 |
-10.2 |
4 |
4 |
0 |
86 |
251.105 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
1157 |
0.64 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
5510 |
0.57 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
770 |
0.66 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
701 |
0.66 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
55 |
0.78 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
3255 |
0.59 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
4660 |
0.57 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
3000 |
0.59 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
450 |
0.68 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
8700 |
0.54 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
7000 |
0.56 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
4150 |
0.58 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
66 |
0.77 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
22 |
0.82 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
7540 |
0.55 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
125 |
0.74 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.18 |
-2.44 |
-10.88 |
3 |
4 |
0 |
80 |
201.247 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
970 |
0.70 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
1310 |
0.69 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
8740 |
0.59 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
75 |
0.83 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
493 |
0.74 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
8300 |
0.59 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
1 |
1.05 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
50 |
0.85 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
180 |
0.79 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
79 |
0.83 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
60 |
0.84 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
180 |
0.79 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
9300 |
0.59 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4220 |
0.63 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
96 |
0.82 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
75 |
0.83 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
245 |
0.77 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
389 |
0.75 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
60 |
0.84 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.21 |
-2.58 |
-10.8 |
4 |
4 |
0 |
86 |
190.199 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
876 |
0.71 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
9560 |
0.59 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
768 |
0.71 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
642 |
0.72 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
55 |
0.85 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
220 |
0.78 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
3840 |
0.63 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
4560 |
0.62 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
80 |
0.83 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
560 |
0.73 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
9300 |
0.59 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
7450 |
0.60 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
6680 |
0.60 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
60 |
0.84 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
21 |
0.90 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
8970 |
0.59 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
80 |
0.83 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.03 |
-3.21 |
-11.97 |
3 |
4 |
0 |
80 |
187.22 |
2 |
↓
|
|
|
Analogs
-
42477520
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 59 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
270 |
0.71 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
1150 |
0.64 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
3420 |
0.59 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
9560 |
0.54 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
94 |
0.76 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
577 |
0.67 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
2100 |
0.61 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3 |
0.92 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
43 |
0.79 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
2900 |
0.60 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
783 |
0.66 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
3100 |
0.59 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
2500 |
0.60 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
913 |
0.65 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
8950 |
0.54 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
813 |
0.66 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
80 |
0.76 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
33 |
0.81 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
163 |
0.73 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
3195 |
0.59 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.38 |
-1.72 |
-56.62 |
5 |
4 |
1 |
88 |
201.271 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
740 |
0.72 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
395 |
0.75 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
7520 |
0.60 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
88 |
0.82 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
551 |
0.73 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
9800 |
0.58 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3 |
0.99 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
56 |
0.85 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
21 |
0.90 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
62 |
0.84 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
560 |
0.73 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
320 |
0.76 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
7400 |
0.60 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
4300 |
0.63 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
1097 |
0.70 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
120 |
0.81 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
264 |
0.77 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
457 |
0.74 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
1345 |
0.68 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.72 |
-2.09 |
-10.22 |
4 |
4 |
0 |
86 |
206.654 |
1 |
↓
|
|
|
Analogs
-
34550793
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 74 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
2200 |
0.66 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
334 |
0.76 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
3900 |
0.63 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
11 |
0.93 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
1450 |
0.68 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
9540 |
0.59 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
83 |
0.83 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
3215 |
0.64 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
7700 |
0.60 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3500 |
0.64 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
1275 |
0.69 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
89 |
0.82 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
305 |
0.76 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-0.13 |
-2.86 |
-11.31 |
5 |
5 |
0 |
98 |
187.224 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
717 |
0.36 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
15 |
0.46 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
97 |
0.41 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
163 |
0.40 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
394 |
0.37 |
Binding ≤ 10μM
|
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
97 |
0.41 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3 |
0.50 |
Binding ≤ 10μM |
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
104 |
0.41 |
Binding ≤ 10μM |
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.42 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
7840 |
0.30 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
65 |
0.42 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
79 |
0.41 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
23 |
0.45 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
47 |
0.43 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
24 |
0.44 |
Binding ≤ 10μM
|
CAH1-2-E |
Carbonic Anhydrase I (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
31 |
0.44 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
15 |
0.46 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
65 |
0.42 |
Functional ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
133 |
0.40 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
15 |
0.46 |
Binding ≤ 10μM
|
Z80362-3-O |
P388 (Lymphoma Cells) (cluster #3 Of 8), Other |
Other |
610 |
0.36 |
Functional ≤ 10μM
|
Z80928-5-O |
HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other |
Other |
210 |
0.39 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
2.18 |
-0.04 |
-47.41 |
3 |
7 |
-1 |
124 |
384.846 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.18 |
-0.12 |
-16.96 |
4 |
7 |
0 |
122 |
385.854 |
4 |
↓
|
|
|
Analogs
-
35824094
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 18 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
240 |
0.42 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
682 |
0.39 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
29 |
0.48 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
5710 |
0.33 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
13 |
0.50 |
Binding ≤ 10μM |
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
425 |
0.41 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
66 |
0.46 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
43 |
0.47 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
340 |
0.41 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
572 |
0.40 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
27 |
0.48 |
Binding ≤ 10μM
|
COX2-1-E |
Cytochrome C Oxidase Subunit 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1100 |
0.38 |
Binding ≤ 10μM
|
PGH2-4-E |
Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
660 |
0.39 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
43 |
0.47 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
340 |
0.41 |
Functional ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
654 |
0.39 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
699 |
0.39 |
Binding ≤ 10μM
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 9), Other |
Other |
890 |
0.39 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
2.73 |
4.5 |
-14.34 |
2 |
5 |
0 |
86 |
314.366 |
3 |
↓
|
|
|
Analogs
-
38413756
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A1Z199-1-E |
BCR/ABL P210 Fusion Protein (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
750 |
0.23 |
Binding ≤ 10μM
|
ABCG2-2-E |
ATP-binding Cassette Sub-family G Member 2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4898 |
0.20 |
Binding ≤ 10μM
|
ABL1-1-E |
Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
11 |
0.30 |
Binding ≤ 10μM
|
ABL2-1-E |
Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6 |
0.31 |
Binding ≤ 10μM
|
BCR-1-E |
Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
473 |
0.24 |
Binding ≤ 10μM
|
BLK-1-E |
Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
520 |
0.24 |
Binding ≤ 10μM
|
BRAF-1-E |
Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3300 |
0.21 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
32 |
0.28 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
980 |
0.23 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
7450 |
0.19 |
Binding ≤ 10μM
|
CAH14-8-E |
Carbonic Anhydrase XIV (cluster #8 Of 8), Eukaryotic |
Eukaryotes |
468 |
0.24 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
78 |
0.27 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
30 |
0.28 |
Binding ≤ 10μM
|
CAH3-1-E |
Carbonic Anhydrase III (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
528 |
0.24 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
4553 |
0.20 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
392 |
0.24 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
109 |
0.26 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
76 |
0.27 |
Binding ≤ 10μM
|
CDK19-1-E |
Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5500 |
0.20 |
Binding ≤ 10μM
|
CLK1-2-E |
Dual Specificty Protein Kinase CLK1 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4500 |
0.20 |
Binding ≤ 10μM
|
CLK4-1-E |
Dual Specificity Protein Kinase CLK4 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
4200 |
0.20 |
Binding ≤ 10μM
|
CSF1R-1-E |
Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
960 |
0.23 |
Binding ≤ 10μM
|
DDR1-1-E |
Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
43 |
0.28 |
Binding ≤ 10μM
|
DDR2-1-E |
Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
15 |
0.30 |
Binding ≤ 10μM
|
EGFR-1-E |
Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
7600 |
0.19 |
Binding ≤ 10μM
|
EPHA8-1-E |
Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2100 |
0.21 |
Binding ≤ 10μM
|
FGR-1-E |
Tyrosine-protein Kinase FGR (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2400 |
0.21 |
Binding ≤ 10μM
|
FRK-1-E |
Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3500 |
0.21 |
Binding ≤ 10μM
|
FYN-1-E |
Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
5500 |
0.20 |
Binding ≤ 10μM
|
GAK-1-E |
Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3600 |
0.21 |
Binding ≤ 10μM
|
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
97 |
0.27 |
Binding ≤ 10μM
|
KSYK-1-E |
Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5000 |
0.20 |
Binding ≤ 10μM
|
LCK-1-E |
Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
62 |
0.27 |
Binding ≤ 10μM
|
LYN-1-E |
Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
220 |
0.25 |
Binding ≤ 10μM
|
MELK-1-E |
Maternal Embryonic Leucine Zipper Kinase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1900 |
0.22 |
Binding ≤ 10μM
|
MK08-1-E |
Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
5000 |
0.20 |
Binding ≤ 10μM
|
MK09-1-E |
C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
5200 |
0.20 |
Binding ≤ 10μM
|
MK10-1-E |
C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3300 |
0.21 |
Binding ≤ 10μM
|
MLTK-1-E |
Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2600 |
0.21 |
Binding ≤ 10μM
|
PGFRA-1-E |
Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
90 |
0.27 |
Binding ≤ 10μM
|
PGFRB-1-E |
Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
72 |
0.27 |
Binding ≤ 10μM
|
PLK4-1-E |
Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.19 |
Binding ≤ 10μM
|
RAF1-1-E |
Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1700 |
0.22 |
Binding ≤ 10μM
|
ST17A-1-E |
Serine/threonine-protein Kinase 17A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5300 |
0.20 |
Binding ≤ 10μM
|
TNI3K-1-E |
Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4300 |
0.20 |
Binding ≤ 10μM
|
ABL1-1-E |
Tyrosine-protein Kinase ABL (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
90 |
0.27 |
Functional ≤ 10μM
|
BCR-1-E |
Breakpoint Cluster Region Protein (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
90 |
0.27 |
Functional ≤ 10μM
|
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5000 |
0.20 |
Functional ≤ 10μM
|
PGFRA-1-E |
Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
96 |
0.27 |
Functional ≤ 10μM
|
Z50466-1-O |
Trypanosoma Cruzi (cluster #1 Of 8), Other |
Other |
9000 |
0.19 |
Functional ≤ 10μM
|
Z80036-1-O |
BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other |
Other |
9100 |
0.19 |
Functional ≤ 10μM
|
Z80166-4-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other |
Other |
60 |
0.27 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
6 |
0.31 |
Functional ≤ 10μM
|
Z80928-3-O |
HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other |
Other |
10000 |
0.19 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
3.89 |
13.15 |
-49.4 |
3 |
8 |
1 |
87 |
494.623 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.89 |
13.03 |
-52.36 |
3 |
8 |
1 |
87 |
494.623 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.89 |
10.78 |
-14.7 |
2 |
8 |
0 |
86 |
493.615 |
7 |
↓
|
|