Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM16644
Substrate
BDBM11326
Meas. Tech.
Esterase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
14600±n/a nM
Citation
 Vullo, D; Franchi, M; Gallori, E; Antel, J; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem 47:1272-9 (2004) [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:
BDBM16644
Synonyms:
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide | 4-Trifluoroacetamido-benzenesulfonamide | CHEMBL417648 | aromatic sulfonamide compound 9
Type:
Small organic molecule
Emp. Form.:
C8H7F3N2O3S
Mol. Mass.:
268.213
SMILES:
NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11326
Synonyms:
4-nitrophenyl acetate | p-Nitrophenyl Acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: