Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50098356
Substrate
n/a
Meas. Tech.
ChEMBL_1505006 (CHEMBL3595788)
Ki
4.1±n/a nM
Citation
 Ibrahim, DA; Lasheen, DS; Zaky, MY; Ibrahim, AW; Vullo, D; Ceruso, M; Supuran, CT; Abou El Ella, DA Design and synthesis of benzothiazole-6-sulfonamides acting as highly potent inhibitors of carbonic anhydrase isoforms I, II, IX and XII. Bioorg Med Chem 23:4989-99 (2015) [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:
BDBM50098356
Synonyms:
CHEMBL3594417
Type:
Small organic molecule
Emp. Form.:
C20H16N8O3S3
Mol. Mass.:
512.588
SMILES:
NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1
Structure:
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