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Target
NAD-dependent protein deacetylase sirtuin-2
Ligand
BDBM50148781
Substrate
n/a
Meas. Tech.
ChEMBL_1740512 (CHEMBL4156262)
IC50
3388±n/a nM
Citation
 Yang, LL; Wang, HL; Zhong, L; Yuan, C; Liu, SY; Yu, ZJ; Liu, S; Yan, YH; Wu, C; Wang, Y; Wang, Z; Yu, Y; Chen, Q; Li, GB X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem 155:806-823 (2018) [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:
BDBM50148781
Synonyms:
CHEMBL3770903
Type:
Small organic molecule
Emp. Form.:
C22H20N4OS2
Mol. Mass.:
420.55
SMILES:
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Structure:
Search PDB for entries with ligand similarity: