Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50613313
Substrate
n/a
Meas. Tech.
ChEMBL_2291861
Ki
7.6±n/a nM
Citation
 Peerzada, MN; Vullo, D; Paoletti, N; Bonardi, A; Gratteri, P; Supuran, CT; Azam, A Discovery of Novel Hydroxyimine-Tethered Benzenesulfonamides as Potential Human Carbonic Anhydrase IX/XII Inhibitors. ACS Med Chem Lett 14:810-819 (2023) [PubMed] 
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:
BDBM50613313
Synonyms:
CHEMBL5283776
Type:
Small organic molecule
Emp. Form.:
C18H22N4O4S
Mol. Mass.:
390.457
SMILES:
COc1ccc(cc1)C(=N/O)\N1CCN(CC1)c1ccc(cc1)S(N)(=O)=O
Structure:
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