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Target
NAD-dependent protein deacetylase sirtuin-2
Ligand
BDBM50501456
Substrate
n/a
Meas. Tech.
ChEMBL_1656115 (CHEMBL4005585)
IC50
580±n/a nM
Citation
 Sundriyal, S; Moniot, S; Mahmud, Z; Yao, S; Di Fruscia, P; Reynolds, CR; Dexter, DT; Sternberg, MJ; Lam, EW; Steegborn, C; Fuchter, MJ Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket. J Med Chem 60:1928-1945 (2017) [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:
Human
Description:
n/a
Residue:
389
Sequence:
MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
  
Inhibitor
Name:
BDBM50501456
Synonyms:
CHEMBL4088755
Type:
Small organic molecule
Emp. Form.:
C28H28N4O3S
Mol. Mass.:
500.612
SMILES:
COc1ccc(Cn2cnc3sc4CC(CCc4c3c2=O)NCc2c(C)noc2C)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: