Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50197810
Substrate
n/a
Meas. Tech.
ChEMBL_1619737 (CHEMBL3861906)
Ki
1.000000±n/a nM
Citation
 Nocentini, A; Ferraroni, M; Carta, F; Ceruso, M; Gratteri, P; Lanzi, C; Masini, E; Supuran, CT Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. J Med Chem 59:10692-10704 (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:
BDBM50197810
Synonyms:
CHEMBL3899660
Type:
Small organic molecule
Emp. Form.:
C15H14N4O4S
Mol. Mass.:
346.361
SMILES:
NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Structure:
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