|
Analogs
-
4217364
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 38 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 |
60 |
0.78 |
Binding ≤ 10μM
|
CYNT-2-B |
Carbonic Anhydrase (cluster #2 Of 3), Bacterial |
Bacteria |
9 |
0.87 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
12 |
0.85 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
481 |
0.68 |
Binding ≤ 10μM
|
B5SU02-5-E |
Alpha Carbonic Anhydrase (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
16 |
0.84 |
Binding ≤ 10μM
|
C0IX24-4-E |
Carbonic Anhydrase (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
74 |
0.77 |
Binding ≤ 10μM
|
CAH1-10-E |
Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic |
Eukaryotes |
900 |
0.65 |
Binding ≤ 10μM
|
CAH10-2-E |
Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH11-2-E |
Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH12-8-E |
Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
6 |
0.89 |
Binding ≤ 10μM |
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
490 |
0.68 |
Binding ≤ 10μM
|
CAH14-7-E |
Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH15-6-E |
Carbonic Anhydrase 15 (cluster #6 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.77 |
Binding ≤ 10μM
|
CAH2-11-E |
Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH3-5-E |
Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH4-12-E |
Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic |
Eukaryotes |
72 |
0.77 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
54 |
0.78 |
Binding ≤ 10μM |
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH7-7-E |
Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
16 |
0.84 |
Binding ≤ 10μM
|
CAH8-2-E |
Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH9-10-E |
Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic |
Eukaryotes |
1000 |
0.65 |
Binding ≤ 10μM
|
Q2PCB5-1-E |
Carbonic Anhydrase (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5720 |
0.56 |
Binding ≤ 10μM |
CAH1-3-E |
Carbonic Anhydrase I (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
250 |
0.71 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3 |
0.92 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
70 |
0.77 |
Functional ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
25 |
0.82 |
Functional ≤ 10μM
|
CAN-3-F |
Carbonic Anhydrase (cluster #3 Of 3), Fungal |
Fungi |
83 |
0.76 |
Binding ≤ 10μM
|
Q3I4V7-2-F |
Carbonic Anhydrase 2 (cluster #2 Of 4), Fungal |
Fungi |
10 |
0.86 |
Binding ≤ 10μM
|
Q5AJ71-3-F |
Carbonic Anhydrase (cluster #3 Of 4), Fungal |
Fungi |
40 |
0.80 |
Binding ≤ 10μM
|
Q6FTL6-1-F |
Carbonic Anhydrase (cluster #1 Of 1), Fungal |
Fungi |
11 |
0.86 |
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 |
-4.36 |
-19.16 |
3 |
7 |
0 |
115 |
222.251 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.15 |
-3.88 |
-51.46 |
2 |
7 |
-1 |
113 |
221.243 |
2 |
↓
|
|
|
Analogs
-
391883
-
Draw
Identity
99%
90%
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70%
Vendors
And 51 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH12-9-E |
Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic |
Eukaryotes |
7500 |
0.90 |
Binding ≤ 10μM
|
CAH2-5-E |
Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic |
Eukaryotes |
7700 |
0.89 |
Binding ≤ 10μM
|
CAH5A-8-E |
Carbonic Anhydrase VA (cluster #8 Of 10), Eukaryotic |
Eukaryotes |
8700 |
0.89 |
Binding ≤ 10μM
|
CAH5B-8-E |
Carbonic Anhydrase VB (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
7100 |
0.90 |
Binding ≤ 10μM
|
PGH1-2-E |
Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
3600 |
0.95 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6420 |
0.91 |
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)
|
0.96 |
-1.22 |
-5.57 |
2 |
2 |
0 |
40 |
110.112 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
0.32 |
1.74 |
-46.85 |
0 |
2 |
-1 |
40 |
109.104 |
0 |
↓
|
|
|
Analogs
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And 70 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
3200 |
0.64 |
Binding ≤ 10μM
|
CAH12-2-E |
Carbonic Anhydrase XII (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
7780 |
0.60 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
9860 |
0.58 |
Binding ≤ 10μM
|
CAH14-4-E |
Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
7030 |
0.60 |
Binding ≤ 10μM
|
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
2250 |
0.66 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
7490 |
0.60 |
Binding ≤ 10μM
|
CAH4-3-E |
Carbonic Anhydrase IV (cluster #3 Of 16), Eukaryotic |
Eukaryotes |
9800 |
0.58 |
Binding ≤ 10μM
|
CAH5A-6-E |
Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic |
Eukaryotes |
4080 |
0.63 |
Binding ≤ 10μM
|
CAH5B-4-E |
Carbonic Anhydrase VB (cluster #4 Of 9), Eukaryotic |
Eukaryotes |
9970 |
0.58 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
6130 |
0.61 |
Binding ≤ 10μM
|
CAH7-2-E |
Carbonic Anhydrase VII (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
6070 |
0.61 |
Binding ≤ 10μM
|
CAH9-3-E |
Carbonic Anhydrase IX (cluster #3 Of 11), Eukaryotic |
Eukaryotes |
6990 |
0.60 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4130 |
0.63 |
Binding ≤ 10μM |
Z100766-1-O |
Radical Scavenging Activity (cluster #1 Of 2), Other |
Other |
7300 |
0.60 |
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)
|
0.59 |
-2.02 |
-47.55 |
3 |
5 |
-1 |
101 |
169.112 |
1 |
↓
|
|
|
Analogs
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Identity
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90%
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70%
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And 46 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
7410 |
0.80 |
Binding ≤ 10μM |
CAH2-5-E |
Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic |
Eukaryotes |
540 |
0.97 |
Binding ≤ 10μM |
CAH6-5-E |
Carbonic Anhydrase VI (cluster #5 Of 8), Eukaryotic |
Eukaryotes |
520 |
0.98 |
Binding ≤ 10μM |
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4390 |
0.83 |
Binding ≤ 10μM |
Q9BEG3-1-E |
Arachidonate 5-lipoxygenase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4000 |
0.84 |
Functional ≤ 10μM
|
LUXP-1-B |
Autoinducer 2-binding Periplasmic Protein LuxP (cluster #1 Of 2), Bacterial |
Bacteria |
2000 |
0.89 |
Functional ≤ 10μM
|
Z50185-2-O |
Staphylococcus Aureus (cluster #2 Of 4), Other |
Other |
490 |
0.98 |
Functional ≤ 10μM
|
Z50186-1-O |
Staphylococcus Epidermidis (cluster #1 Of 2), Other |
Other |
990 |
0.93 |
Functional ≤ 10μM
|
Z50425-11-O |
Plasmodium Falciparum (cluster #11 Of 22), Other |
Other |
5660 |
0.82 |
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)
|
0.73 |
-2.62 |
-8.63 |
3 |
3 |
0 |
61 |
126.111 |
0 |
↓
|
|
|
Analogs
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Identity
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90%
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70%
Vendors
And 60 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
1080 |
0.76 |
Binding ≤ 10μM
|
CAH12-2-E |
Carbonic Anhydrase XII (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
4090 |
0.69 |
Binding ≤ 10μM
|
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
470 |
0.81 |
Binding ≤ 10μM
|
CAH6-8-E |
Carbonic Anhydrase VI (cluster #8 Of 8), Eukaryotic |
Eukaryotes |
4720 |
0.68 |
Binding ≤ 10μM |
CAH9-3-E |
Carbonic Anhydrase IX (cluster #3 Of 11), Eukaryotic |
Eukaryotes |
4450 |
0.68 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3210 |
0.70 |
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)
|
0.88 |
0.14 |
-48.46 |
2 |
4 |
-1 |
81 |
153.113 |
1 |
↓
|
|
|
Analogs
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Identity
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90%
80%
70%
Vendors
And 77 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
7610 |
0.72 |
Binding ≤ 10μM
|
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
9800 |
0.70 |
Binding ≤ 10μM
|
CAH12-9-E |
Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic |
Eukaryotes |
6270 |
0.73 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
7790 |
0.72 |
Binding ≤ 10μM
|
CAH14-4-E |
Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
6160 |
0.73 |
Binding ≤ 10μM
|
CAH15-1-E |
Carbonic Anhydrase 15 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
9320 |
0.70 |
Binding ≤ 10μM
|
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
870 |
0.85 |
Binding ≤ 10μM
|
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
7280 |
0.72 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
6610 |
0.73 |
Binding ≤ 10μM
|
CAH4-3-E |
Carbonic Anhydrase IV (cluster #3 Of 16), Eukaryotic |
Eukaryotes |
7780 |
0.72 |
Binding ≤ 10μM
|
CAH5A-6-E |
Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic |
Eukaryotes |
9200 |
0.71 |
Binding ≤ 10μM
|
CAH5B-4-E |
Carbonic Anhydrase VB (cluster #4 Of 9), Eukaryotic |
Eukaryotes |
7130 |
0.72 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
5700 |
0.73 |
Binding ≤ 10μM
|
CAH7-2-E |
Carbonic Anhydrase VII (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
4080 |
0.75 |
Binding ≤ 10μM
|
CAH9-3-E |
Carbonic Anhydrase IX (cluster #3 Of 11), Eukaryotic |
Eukaryotes |
3730 |
0.76 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
8460 |
0.71 |
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)
|
1.37 |
2.22 |
-47.43 |
1 |
3 |
-1 |
60 |
137.114 |
1 |
↓
|
|
|
Analogs
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Identity
99%
90%
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70%
Vendors
And 54 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH12-9-E |
Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic |
Eukaryotes |
7800 |
0.89 |
Binding ≤ 10μM
|
CAH2-5-E |
Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic |
Eukaryotes |
90 |
1.23 |
Binding ≤ 10μM
|
CAH3-1-E |
Carbonic Anhydrase III (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
8200 |
0.89 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5930 |
0.91 |
Binding ≤ 10μM |
TYRO-3-F |
Tyrosinase (cluster #3 Of 8), Fungal |
Fungi |
9810 |
0.88 |
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)
|
0.98 |
-1.23 |
-4.89 |
2 |
2 |
0 |
40 |
110.112 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 52 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-4-E |
Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic |
Eukaryotes |
550 |
0.80 |
Binding ≤ 10μM
|
CAH12-9-E |
Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic |
Eukaryotes |
3670 |
0.69 |
Binding ≤ 10μM
|
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
510 |
0.80 |
Binding ≤ 10μM
|
CAH9-3-E |
Carbonic Anhydrase IX (cluster #3 Of 11), Eukaryotic |
Eukaryotes |
4410 |
0.68 |
Binding ≤ 10μM
|
Q2PCB5-2-E |
Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2130 |
0.72 |
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)
|
0.82 |
-1.59 |
-50.1 |
2 |
4 |
-1 |
81 |
153.113 |
1 |
↓
|
|