Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50279713
Substrate
n/a
Meas. Tech.
ChEMBL_1734316 (CHEMBL4149852)
Ki
53±n/a nM
Citation
 Angeli, A; di Cesare Mannelli, L; Trallori, E; Peat, TS; Ghelardini, C; Carta, F; Supuran, CT Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology. ACS Med Chem Lett 9:462-467 (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:
BDBM50279713
Synonyms:
CHEMBL4159870
Type:
Small organic molecule
Emp. Form.:
C7H6N2O2SSe
Mol. Mass.:
261.16
SMILES:
[#7]S(=O)(=O)c1ccc([Se;v2]C#N)cc1
Structure:
Search PDB for entries with ligand similarity: