|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-10-E |
Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic |
Eukaryotes |
362 |
0.39 |
Binding ≤ 10μM
|
CAH12-8-E |
Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
5 |
0.51 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
147 |
0.42 |
Binding ≤ 10μM
|
CAH14-7-E |
Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
5 |
0.51 |
Binding ≤ 10μM
|
CAH15-6-E |
Carbonic Anhydrase 15 (cluster #6 Of 6), Eukaryotic |
Eukaryotes |
719 |
0.37 |
Binding ≤ 10μM
|
CAH2-11-E |
Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic |
Eukaryotes |
9 |
0.49 |
Binding ≤ 10μM
|
CAH4-12-E |
Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic |
Eukaryotes |
413 |
0.39 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
401 |
0.39 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
416 |
0.39 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
921 |
0.37 |
Binding ≤ 10μM
|
CAH7-7-E |
Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
48 |
0.45 |
Binding ≤ 10μM
|
CAH9-10-E |
Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic |
Eukaryotes |
50 |
0.44 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH15_MOUSE |
Q99N23
|
Carbonic Anhydrase 15, Mouse |
719 |
0.37 |
Binding ≤ 1μM
|
CAH1_HUMAN |
P00915
|
Carbonic Anhydrase I, Human |
362 |
0.39 |
Binding ≤ 1μM
|
CAH2_HUMAN |
P00918
|
Carbonic Anhydrase II, Human |
8.9 |
0.49 |
Binding ≤ 1μM
|
CAH4_HUMAN |
P22748
|
Carbonic Anhydrase IV, Human |
413 |
0.39 |
Binding ≤ 1μM
|
CAH9_HUMAN |
Q16790
|
Carbonic Anhydrase IX, Human |
49.5 |
0.44 |
Binding ≤ 1μM
|
CAH5A_HUMAN |
P35218
|
Carbonic Anhydrase VA, Human |
401 |
0.39 |
Binding ≤ 1μM
|
CAH5B_HUMAN |
Q9Y2D0
|
Carbonic Anhydrase VB, Human |
416 |
0.39 |
Binding ≤ 1μM
|
CAH6_HUMAN |
P23280
|
Carbonic Anhydrase VI, Human |
921 |
0.37 |
Binding ≤ 1μM
|
CAH7_HUMAN |
P43166
|
Carbonic Anhydrase VII, Human |
48 |
0.45 |
Binding ≤ 1μM
|
CAH12_HUMAN |
O43570
|
Carbonic Anhydrase XII, Human |
4.7 |
0.51 |
Binding ≤ 1μM
|
CAH13_HUMAN |
Q8N1Q1
|
Carbonic Anhydrase XIII, Human |
147 |
0.42 |
Binding ≤ 1μM
|
CAH14_HUMAN |
Q9ULX7
|
Carbonic Anhydrase XIV, Human |
5.1 |
0.50 |
Binding ≤ 1μM
|
CAH15_MOUSE |
Q99N23
|
Carbonic Anhydrase 15, Mouse |
719 |
0.37 |
Binding ≤ 10μM
|
CAH1_HUMAN |
P00915
|
Carbonic Anhydrase I, Human |
362 |
0.39 |
Binding ≤ 10μM
|
CAH2_HUMAN |
P00918
|
Carbonic Anhydrase II, Human |
8.9 |
0.49 |
Binding ≤ 10μM
|
CAH4_HUMAN |
P22748
|
Carbonic Anhydrase IV, Human |
413 |
0.39 |
Binding ≤ 10μM
|
CAH9_HUMAN |
Q16790
|
Carbonic Anhydrase IX, Human |
49.5 |
0.44 |
Binding ≤ 10μM
|
CAH5A_HUMAN |
P35218
|
Carbonic Anhydrase VA, Human |
401 |
0.39 |
Binding ≤ 10μM
|
CAH5B_HUMAN |
Q9Y2D0
|
Carbonic Anhydrase VB, Human |
416 |
0.39 |
Binding ≤ 10μM
|
CAH6_HUMAN |
P23280
|
Carbonic Anhydrase VI, Human |
921 |
0.37 |
Binding ≤ 10μM
|
CAH7_HUMAN |
P43166
|
Carbonic Anhydrase VII, Human |
48 |
0.45 |
Binding ≤ 10μM
|
CAH12_HUMAN |
O43570
|
Carbonic Anhydrase XII, Human |
4.7 |
0.51 |
Binding ≤ 10μM
|
CAH13_HUMAN |
Q8N1Q1
|
Carbonic Anhydrase XIII, Human |
147 |
0.42 |
Binding ≤ 10μM
|
CAH14_HUMAN |
Q9ULX7
|
Carbonic Anhydrase XIV, Human |
5.1 |
0.50 |
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)
|
2.02 |
1.34 |
-17.75 |
3 |
7 |
0 |
115 |
356.473 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.02 |
1.83 |
-51.38 |
2 |
7 |
-1 |
113 |
355.465 |
4 |
↓
|
|