Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase sirtuin-2
Ligand
BDBM50400728
Substrate
n/a
Meas. Tech.
ChEMBL_880333 (CHEMBL2209188)
IC50
14400±n/a nM
Citation
 Maurer, B; Rumpf, T; Scharfe, M; Stolfa, DA; Schmitt, ML; He, W; Verdin, E; Sippl, W; Jung, M Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5. ACS Med Chem Lett 3:1050-1053 (2012) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase sirtuin-2
Synonyms:
NAD-Dependent Deacetylase Sirtuin-2 | NAD-dependent deacetylase sirtuin 2 | NAD-dependent deacetylase sirtuin 3 | NAD-dependent protein deacetylase sirtuin-2 (SIRT2) | SIR2-like | SIR2-like protein 2 | SIR2L | SIR2L2 | SIR2_HUMAN | SIRT2 | Sirtuin 2 (SIRT2)
Type:
Hydrolase
Mol. Mass.:
43172.62
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
389
Sequence:
MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
  
Inhibitor
Name:
BDBM50400728
Synonyms:
CHEMBL2203541
Type:
Small organic molecule
Emp. Form.:
C20H18N2O3S
Mol. Mass.:
366.434
SMILES:
CCN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
Structure:
Search PDB for entries with ligand similarity: