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)
|
1.54 |
0 |
-16.04 |
4 |
6 |
0 |
101 |
283.353 |
3 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
470 |
0.47 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
7 |
0.60 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
226 |
0.49 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
7 |
0.60 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
733 |
0.45 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
509 |
0.46 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1_HUMAN |
P00915
|
Carbonic Anhydrase I, Human |
470 |
0.47 |
Binding ≤ 1μM
|
CAH2_HUMAN |
P00918
|
Carbonic Anhydrase II, Human |
226 |
0.49 |
Binding ≤ 1μM
|
CAH9_HUMAN |
Q16790
|
Carbonic Anhydrase IX, Human |
7.3 |
0.60 |
Binding ≤ 1μM
|
CAH12_HUMAN |
O43570
|
Carbonic Anhydrase XII, Human |
7 |
0.60 |
Binding ≤ 1μM
|
P96878_MYCTU |
P96878
|
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu |
733 |
0.45 |
Binding ≤ 1μM
|
Y1284_MYCTU |
P64797
|
Uncharacterized Protein Rv1284/MT1322, Myctu |
509 |
0.46 |
Binding ≤ 1μM
|
CAH1_HUMAN |
P00915
|
Carbonic Anhydrase I, Human |
470 |
0.47 |
Binding ≤ 10μM
|
CAH2_HUMAN |
P00918
|
Carbonic Anhydrase II, Human |
226 |
0.49 |
Binding ≤ 10μM
|
CAH9_HUMAN |
Q16790
|
Carbonic Anhydrase IX, Human |
7.3 |
0.60 |
Binding ≤ 10μM
|
CAH12_HUMAN |
O43570
|
Carbonic Anhydrase XII, Human |
7 |
0.60 |
Binding ≤ 10μM
|
P96878_MYCTU |
P96878
|
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu |
733 |
0.45 |
Binding ≤ 10μM
|
Y1284_MYCTU |
P64797
|
Uncharacterized Protein Rv1284/MT1322, Myctu |
509 |
0.46 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Erythrocytes take up carbon dioxide and release oxygen |
|
Erythrocytes take up oxygen and release carbon dioxide |
|
Regulation of gene expression by Hypoxia-inducible Factor |
|
Reversible hydration of carbon dioxide |
|
No pre-computed analogs available. Try a structural similarity search.