Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50515487
Substrate
n/a
Meas. Tech.
ChEMBL_1861349 (CHEMBL4362205)
Ki
>10000±n/a nM
Citation
 Costa, G; Carta, F; Ambrosio, FA; Artese, A; Ortuso, F; Moraca, F; Rocca, R; Romeo, I; Lupia, A; Maruca, A; Bagetta, D; Catalano, R; Vullo, D; Alcaro, S; Supuran, CT A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors. Eur J Med Chem 181:0 (2019) [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:
BDBM50515487
Synonyms:
CHEMBL4444937
Type:
Small organic molecule
Emp. Form.:
C13H12ClFN6O3
Mol. Mass.:
354.724
SMILES:
Fc1cccc(Cl)c1\C=N/NC(=O)CCNc1n[nH]c(=O)[nH]c1=O
Structure:
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