Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50204376
Substrate
n/a
Meas. Tech.
ChEMBL_435724 (CHEMBL904077)
Ki
5900±n/a nM
Citation
 Nuti, E; Orlandini, E; Nencetti, S; Rossello, A; Innocenti, A; Scozzafava, A; Supuran, CT Carbonic anhydrase and matrix metalloproteinase inhibitors. Inhibition of human tumor-associated isozymes IX and cytosolic isozyme I and II with sulfonylated hydroxamates. Bioorg Med Chem 15:2298-311 (2007) [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:
BDBM50204376
Synonyms:
2-{benzyloxybenzyloxy[(4-methoxyphenyl)sulfonyl]amino}-N-hydroxyacetamide | CHEMBL228176
Type:
Small organic molecule
Emp. Form.:
C23H24N2O7S
Mol. Mass.:
472.511
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OCc1ccc(OCc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: