Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50055710
Substrate
n/a
Meas. Tech.
ChEMBL_1552965 (CHEMBL3760249)
Ki
>100000±n/a nM
Citation
 Ferraroni, M; Carta, F; Scozzafava, A; Supuran, CT Thioxocoumarins Show an Alternative Carbonic Anhydrase Inhibition Mechanism Compared to Coumarins. J Med Chem 59:462-73 (2016) [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:
BDBM50055710
Synonyms:
4-HYDROXY-2H-CHROMEN-2-ONE | 4-Hydroxy-chromen-2-one | 4-hydroxycoumarin | CHEMBL301141
Type:
Small organic molecule
Emp. Form.:
C9H6O3
Mol. Mass.:
162.1421
SMILES:
Oc1cc(=O)oc2ccccc12
Structure:
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