Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM11611
Substrate
n/a
Meas. Tech.
ChEMBL_726066 (CHEMBL1678662)
pH
7.5±n/a
Ki
9650±n/a nM
Comments
extracted
Citation
 Joseph, P; Ouahrani-Bettache, S; Montero, JL; Nishimori, I; Minakuchi, T; Vullo, D; Scozzafava, A; Winum, JY; Köhler, S; Supuran, CT A newß-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth. Bioorg Med Chem 19:1172-8 (2011) [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:
BDBM11611
Synonyms:
β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenzenesulfonamide | 4-amino-3,5-dibromobenzene-1-sulfonamide | CHEMBL306195 | halogenosulfanilamide deriv. 12
Type:
Small organic molecule
Emp. Form.:
C6H6Br2N2O2S
Mol. Mass.:
329.997
SMILES:
Nc1c(Br)cc(cc1Br)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: