Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50538706
Substrate
n/a
Meas. Tech.
ChEMBL_1973882 (CHEMBL4606700)
Ki
0.840000±n/a nM
Citation
 Mancuso, F; Di Fiore, A; De Luca, L; Angeli, A; Monti, SM; De Simone, G; Supuran, CT; Gitto, R Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms. ACS Med Chem Lett 11:1000-1005 (2020) [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:
BDBM50538706
Synonyms:
CHEMBL4649709
Type:
Small organic molecule
Emp. Form.:
C18H18FN3O4S
Mol. Mass.:
391.417
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
Structure:
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