Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50527086
Substrate
n/a
Meas. Tech.
ChEMBL_1902056 (CHEMBL4404278)
Ki
0.610000±n/a nM
Citation
 Fares, M; Eldehna, WM; Bua, S; Lanzi, C; Lucarini, L; Masini, E; Peat, TS; Abdel-Aziz, HA; Nocentini, A; Keller, PA; Supuran, CT Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J Med Chem 63:3317-3326 (2020) [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:
BDBM50527086
Synonyms:
CHEMBL4458973
Type:
Small organic molecule
Emp. Form.:
C17H15ClN2O4S
Mol. Mass.:
378.83
SMILES:
CC(=O)C(=C/c1ccc(Cl)cc1)\C(=O)Nc1ccc(cc1)S(N)(=O)=O
Structure:
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