Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50457324
Substrate
n/a
Meas. Tech.
ChEMBL_1759328 (CHEMBL4194336)
Ki
410±n/a nM
Citation
 Cadoni, R; Pala, N; Lomelino, C; Mahon, BP; McKenna, R; Dallocchio, R; Dessė, A; Carcelli, M; Rogolino, D; Sanna, V; Rassu, M; Iaccarino, C; Vullo, D; Supuran, CT; Sechi, M Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett 8:941-946 (2017) [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:
BDBM50457324
Synonyms:
CHEMBL4212188
Type:
Small organic molecule
Emp. Form.:
C16H17N3O2
Mol. Mass.:
283.3251
SMILES:
CCn1cc(-c2cc(C(=O)OC)n(C)n2)c2ccccc12
Structure:
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