Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50146462
Substrate
n/a
Meas. Tech.
ChEMBL_796748 (CHEMBL1938063)
Ki
9300±n/a nM
Citation
Carta, F; Maresca, A; Scozzafava, A; Supuran, CT 5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors. Bioorg Med Chem Lett 22:267-70 (2011) [PubMed] Article
More Info.:
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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