Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50174558
Substrate
n/a
Meas. Tech.
ChEMBL_1727668 (CHEMBL4142946)
Ki
>10000±n/a nM
Citation
 De Luca, L; Mancuso, F; Ferro, S; Buemi, MR; Angeli, A; Del Prete, S; Capasso, C; Supuran, CT; Gitto, R Inhibitory effects and structural insights for a novel series of coumarin-based compounds that selectively target human CA IX and CA XII carbonic anhydrases. Eur J Med Chem 143:276-282 (2018) [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:
BDBM50174558
Synonyms:
7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chromen-2-one | CHEMBL51628 | Coumarin derivative, 3a | beta-umbelliferone | hydrangin | skimmetin | umbelliferone
Type:
Small organic molecule
Emp. Form.:
C9H6O3
Mol. Mass.:
162.1421
SMILES:
Oc1ccc2ccc(=O)oc2c1
Structure:
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