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Target
NAD-dependent histone deacetylase SIR2
Ligand
BDBM50177985
Substrate
n/a
Meas. Tech.
ChEMBL_326721 (CHEMBL859799)
IC50
72000±n/a nM
Citation
 Mai, A; Massa, S; Lavu, S; Pezzi, R; Simeoni, S; Ragno, R; Mariotti, FR; Chiani, F; Camilloni, G; Sinclair, DA Design, synthesis, and biological evaluation of sirtinol analogues as class III histone/protein deacetylase (Sirtuin) inhibitors. J Med Chem 48:7789-95 (2005) [PubMed]  Article 
Target
Name:
NAD-dependent histone deacetylase SIR2
Synonyms:
MAR1 | SIR2 | SIR2_YEAST
Type:
PROTEIN
Mol. Mass.:
63277.80
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_942450
Residue:
562
Sequence:
MTIPHMKYAVSKTSENKVSNTVSPTQDKDAIRKQPDDIINNDEPSHKKIKVAQPDSLRETNTTDPLGHTKAALGEVASMELKPTNDMDPLAVSAASVVSMSNDVLKPETPKGPIIISKNPSNGIFYGPSFTKRESLNARMFLKYYGAHKFLDTYLPEDLNSLYIYYLIKLLGFEVKDQALIGTINSIVHINSQERVQDLGSAISVTNVEDPLAKKQTVRLIKDLQRAINKVLCTRLRLSNFFTIDHFIQKLHTARKILVLTGAGVSTSLGIPDFRSSEGFYSKIKHLGLDDPQDVFNYNIFMHDPSVFYNIANMVLPPEKIYSPLHSFIKMLQMKGKLLRNYTQNIDNLESYAGISTDKLVQCHGSFATATCVTCHWNLPGERIFNKIRNLELPLCPYCYKKRREYFPEGYNNKVGVAASQGSMSERPPYILNSYGVLKPDITFFGEALPNKFHKSIREDILECDLLICIGTSLKVAPVSEIVNMVPSHVPQVLINRDPVKHAEFDLSLLGYCDDIAAMVAQKCGWTIPHKKWNDLKNKNFKCQEKDKGVYVVTSDEHPKTL
  
Inhibitor
Name:
BDBM50177985
Synonyms:
CHEMBL200762 | meta-Sirtinol
Type:
Small organic molecule
Emp. Form.:
C26H22N2O2
Mol. Mass.:
394.4651
SMILES:
CC(NC(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: