Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50346463
Substrate
n/a
Meas. Tech.
ChEMBL_942154 (CHEMBL2341787)
Ki
7270±n/a nM
Citation
 Tuccinardi, T; Bertini, S; Granchi, C; Ortore, G; Macchia, M; Minutolo, F; Martinelli, A; Supuran, CT Salicylaldoxime derivatives as new leads for the development of carbonic anhydrase inhibitors. Bioorg Med Chem 21:1511-5 (2013) [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:
BDBM50346463
Synonyms:
(E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-carbaldehyde oxime | CHEMBL1782958
Type:
Small organic molecule
Emp. Form.:
C13H9ClFNO3
Mol. Mass.:
281.667
SMILES:
Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Structure:
Search PDB for entries with ligand similarity: