Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50408531
Substrate
n/a
Meas. Tech.
ChEMBL_1739477 (CHEMBL4155227)
Ki
14±n/a nM
Citation
 Angeli, A; di Cesare Mannelli, L; Lucarini, E; Peat, TS; Ghelardini, C; Supuran, CT Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem 154:210-219 (2018) [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:
BDBM50408531
Synonyms:
CHEMBL4166037
Type:
Small organic molecule
Emp. Form.:
C8H8N2O2SSe
Mol. Mass.:
275.19
SMILES:
[#7]S(=O)(=O)c1ccc(-[#6][Se;v2]C#N)cc1
Structure:
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