Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50457335
Substrate
n/a
Meas. Tech.
ChEMBL_1759336 (CHEMBL4194344)
Ki
3.5±n/a nM
Citation
 Angeli, A; Tanini, D; Peat, TS; Di Cesare Mannelli, L; Bartolucci, G; Capperucci, A; Ghelardini, C; Supuran, CT; Carta, F Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett 8:963-968 (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:
BDBM50457335
Synonyms:
CHEMBL4218419
Type:
Small organic molecule
Emp. Form.:
C15H16ClN3O2SSe
Mol. Mass.:
416.78
SMILES:
[#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2Cl)cc1
Structure:
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