Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50428389
Substrate
n/a
Meas. Tech.
ChEMBL_942105 (CHEMBL2340803)
Ki
800±n/a nM
Citation
 Carta, F; Vullo, D; Maresca, A; Scozzafava, A; Supuran, CT Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem 21:1564-9 (2013) [PubMed]  Article 
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:
BDBM50428389
Synonyms:
CHEMBL146816 | Methyl 3-(4-Hydroxyphenyl)Acrylate | Methyl P-Hydroxycinnamate | Methyl Trans-P-Coumaric Acid | Methyl-P-Coumarate | P-Hydroxy Cinnamic Acid Methyl Ester
Type:
Small organic molecule
Emp. Form.:
C10H10O3
Mol. Mass.:
178.1846
SMILES:
COC(=O)\C=C\c1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: