Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50329824
Substrate
n/a
Meas. Tech.
ChEMBL_675712 (CHEMBL1272346)
Kd
10000±n/a nM
Citation
 Capkauskaite, E; Baranauskiene, L; Golovenko, D; Manakova, E; Gražulis, S; Tumkevičius, S; Matulis, D Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg Med Chem 18:7357-64 (2010) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50329824
Synonyms:
2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | CHEMBL1272297 | N-alkylated benzimidazole derivative, 4f
Type:
Small organic molecule
Emp. Form.:
C18H18ClN3O3S
Mol. Mass.:
391.872
SMILES:
CCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: