Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50381331
Substrate
n/a
Meas. Tech.
ChEMBL_814442 (CHEMBL2019838)
IC50
13700±n/a nM
Citation
 Balboni, G; Congiu, C; Onnis, V; Maresca, A; Scozzafava, A; Winum, JY; Maietti, A; Supuran, CT Flavones and structurally related 4-chromenones inhibit carbonic anhydrases by a different mechanism of action compared to coumarins. Bioorg Med Chem Lett 22:3063-6 (2012) [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:
BDBM50381331
Synonyms:
CHEMBL2019147
Type:
Small organic molecule
Emp. Form.:
C17H14ClNO4
Mol. Mass.:
331.75
SMILES:
COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O
Structure:
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