Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50538706
Substrate
n/a
Meas. Tech.
ChEMBL_1973883 (CHEMBL4606701)
Ki
0.410000±n/a nM
Citation
 Mancuso, F; Di Fiore, A; De Luca, L; Angeli, A; Monti, SM; De Simone, G; Supuran, CT; Gitto, R Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms. ACS Med Chem Lett 11:1000-1005 (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:
BDBM50538706
Synonyms:
CHEMBL4649709
Type:
Small organic molecule
Emp. Form.:
C18H18FN3O4S
Mol. Mass.:
391.417
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
Structure:
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