Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50146462
Substrate
n/a
Meas. Tech.
ChEMBL_651943 (CHEMBL1227473)
Ki
3100±n/a nM
Citation
 Innocenti, A; Gülçin, I; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett 20:5050-3 (2010) [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:
BDBM50146462
Synonyms:
(2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid (7) | (E)-2-hydroxycinnamic acid | (E)-3-(2-hydroxyphenyl)-2-propenoic acid | (E)-o-hydroxycinnamic acid | CHEMBL52564 | o-Hydroxycinnamic acid (o-HCA) | o-hydroxy-trans-cinnamic acid | trans-2-coumaric acid | trans-o-hydroxycinnamic acid
Type:
Small organic molecule
Emp. Form.:
C9H8O3
Mol. Mass.:
164.158
SMILES:
OC(=O)\C=C\c1ccccc1O
Structure:
Search PDB for entries with ligand similarity: