Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM23409
Substrate
n/a
Meas. Tech.
ChEBML_1523541
Temperature
298.15±n/a K
Ki
440±n/a nM
Comments
extracted
Citation
 Karioti, A; Ceruso, M; Carta, F; Bilia, AR; Supuran, CT New natural product carbonic anhydrase inhibitors incorporating phenol moieties. Bioorg Med Chem 23:7219-25 (2015) [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:
BDBM23409
Synonyms:
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one | CHEMBL379064 | Isorhamnetin | Isorhamnetin (17)
Type:
flavonol
Emp. Form.:
C16H12O7
Mol. Mass.:
316.2623
SMILES:
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Structure:
Search PDB for entries with ligand similarity: