Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50528159
Substrate
n/a
Meas. Tech.
ChEMBL_1904502 (CHEMBL4406724)
Ki
9.1±n/a nM
Citation
 Nocentini, A; Alterio, V; Bua, S; Micheli, L; Esposito, D; Buonanno, M; Bartolucci, G; Osman, SM; ALOthman, ZA; Cirilli, R; Pierini, M; Monti, SM; Di Cesare Mannelli, L; Gratteri, P; Ghelardini, C; De Simone, G; Supuran, CT Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J Med Chem 63:5185-5200 (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:
BDBM50528159
Synonyms:
CHEMBL4549267
Type:
Small organic molecule
Emp. Form.:
C17H22N3O4PS
Mol. Mass.:
395.413
SMILES:
CN1CCN(CC1)P(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Structure:
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