Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase HST2
Ligand
BDBM50378583
Substrate
n/a
Meas. Tech.
ChEMBL_606799 (CHEMBL1067344)
IC50
>700000±n/a nM
Citation
 Sanders, BD; Jackson, B; Brent, M; Taylor, AM; Dang, W; Berger, SL; Schreiber, SL; Howitz, K; Marmorstein, R Identification and characterization of novel sirtuin inhibitor scaffolds. Bioorg Med Chem 17:7031-41 (2009) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase HST2
Synonyms:
HST2 | HST2_YEAST | NAD-dependent deacetylase HST2
Type:
PROTEIN
Mol. Mass.:
39972.79
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_533704
Residue:
357
Sequence:
MSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITTSGKHPQQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTAQGGMGDNSKEQLLEIVHDLENLSLDQSEHESADKKDKKLQRLNGHDSDEDGASNSSSSQKAAKE
  
Inhibitor
Name:
BDBM50378583
Synonyms:
SURFACTIN
Type:
Small organic molecule
Emp. Form.:
C53H93N7O13
Mol. Mass.:
1036.3446
SMILES:
CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 |r|
Structure:
Search PDB for entries with ligand similarity: