Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50494950
Substrate
n/a
Meas. Tech.
ChEMBL_1281629 (CHEMBL3102439)
Ki
6.3±n/a nM
Citation
 De Luca, L; Ferro, S; Damiano, FM; Supuran, CT; Vullo, D; Chimirri, A; Gitto, R Structure-based screening for the discovery of new carbonic anhydrase VII inhibitors. Eur J Med Chem 71:105-11 (2014) [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:
BDBM50494950
Synonyms:
CHEMBL3098849
Type:
Small organic molecule
Emp. Form.:
C13H12BrClN2O4S2
Mol. Mass.:
439.732
SMILES:
NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: