Target
Carbonic anhydrase 3
Ligand
BDBM248142
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
7.6e+2±n/a nM
Comments
extracted
Citation
 Durdagi, SScozzafava, GVullo, DSahin, HKolayli, SSupuran, CT Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies. J Enzyme Inhib Med Chem 29:469-75 (2014) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 3
Synonyms:
CA-III | CA3 | CAH3_HUMAN | Carbonate dehydratase III | Carbonic Anhydrase III | Carbonic anhydrase | Carbonic anhydrase 3 (CA III) | Carbonic anhydrase III (CA III)
Type:
Enzyme
Mol. Mass.:
29562.11
Organism:
Homo sapiens (Human)
Description:
Human cloned isozyme.
Residue:
260
Sequence:
MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVSYDGGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLPGPYRLRQFHLHWGSSDDHGSEHTVDGVKYAAELHLVHWNPKYNTFKEALKQRDGIAVIGIFLKIGHENGEFQIFLDALDKIKTKGKEAPFTKFDPSCLFPACRDYWTYQGSFTTPPCEECIVWLLLKEPMTVSSDQMAKLRSLLSSAENEPPVPLVSNWRPPQPINNRVVRASFK
  
Inhibitor
Name:
BDBM248142
Synonyms:
Grayanotoxin III (GTX3)
Type:
Small organic molecule
Emp. Form.:
C20H34O6
Mol. Mass.:
370.4804
SMILES:
C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1|
Structure:
Search PDB for entries with ligand similarity: