Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50025357
Substrate
n/a
Meas. Tech.
ChEMBL_1431197 (CHEMBL3385060)
Ki
105±n/a nM
Citation
 Alafeefy, AM; Ceruso, M; Al-Tamimi, AM; Del Prete, S; Capasso, C; Supuran, CT Quinazoline-sulfonamides with potent inhibitory activity against thea-carbonic anhydrase from Vibrio cholerae. Bioorg Med Chem 22:5133-40 (2014) [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:
BDBM50025357
Synonyms:
CHEMBL3337907
Type:
Small organic molecule
Emp. Form.:
C20H20N4O4S2
Mol. Mass.:
444.527
SMILES:
Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12
Structure:
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