Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50261605
Substrate
n/a
Meas. Tech.
ChEBML_1696164
Ki
630±n/a nM
Citation
 Angapelly, S; Ramya, PVS; Angeli, A; Del Prete, S; Capasso, C; Arifuddin, M; Supuran, CT Development of sulfonamides incorporating phenylacrylamido functionalities as carbonic anhydrase isoforms I, II, IX and XII inhibitors. Bioorg Med Chem 25:5726-5732 (2017) [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:
BDBM50261605
Synonyms:
CHEMBL4063412
Type:
Small organic molecule
Emp. Form.:
C16H13F3N2O4S
Mol. Mass.:
386.346
SMILES:
NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: