Reaction Details Report a problem with these data
Target
Carbonic anhydrase 3
Ligand
BDBM50329823
Substrate
n/a
Meas. Tech.
ChEMBL_1752585 (CHEMBL4187345)
Kd
469±n/a nM
Citation
 ?apkauskait?, E; Zak?auskas, A; Ruibys, V; Linkuvien?, V; Paketuryt?, V; Gedgaudas, M; Kairys, V; Matulis, D Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. Bioorg Med Chem 26:675-687 (2018) [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:
BDBM50329823
Synonyms:
2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | CHEMBL1272243 | N-alkylated benzimidazole derivative, 4e
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O3S
Mol. Mass.:
377.845
SMILES:
CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: