Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM23417
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
Ki
2.32e+3±n/a nM
Comments
extracted
Citation
 Koz, ÿ; Ekinci, D; Perrone, A; Piacente, S; Alankus-Çaliskan, ÿ; Bedir, E; Supuran, CT Analysis of saponins and phenolic compounds as inhibitors of a-carbonic anhydrase isoenzymes. J Enzyme Inhib Med Chem 28:412-7 (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:
BDBM23417
Synonyms:
α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | Epicatechin | L-Epicatechin | cid_72276
Type:
Flavonol
Emp. Form.:
C15H14O6
Mol. Mass.:
290.2681
SMILES:
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: