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Target
Carbonic anhydrase 1
Ligand
BDBM50427222
Substrate
n/a
Meas. Tech.
ChEMBL_1567376 (CHEMBL3789754)
Ki
55±n/a nM
Citation
 Del Prete, S; Vullo, D; De Luca, V; Carginale, V; Osman, SM; AlOthman, Z; Supuran, CT; Capasso, C Comparison of the sulfonamide inhibition profiles of thea-,ß- and¿-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae. Bioorg Med Chem Lett 26:1941-6 (2016) [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:
BDBM50427222
Synonyms:
CHEMBL2324864
Type:
Small organic molecule
Emp. Form.:
C15H17N3O7S2
Mol. Mass.:
415.441
SMILES:
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1
Structure:
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