Reaction Details Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50047664
Substrate
n/a
Meas. Tech.
ChEBML_28336
IC50
690±n/a nM
Citation
 Roark, WH; Roth, BD; Holmes, A; Trivedi, BK; Kieft, KA; Essenburg, AD; Krause, BR; Stanfield, RL Inhibitors of acyl-CoA:cholesterol acyltransferase (ACAT). 2. Modification of fatty acid anilide ACAT inhibitors: bioisosteric replacement of the amide bond. J Med Chem 36:1662-8 (1993) [PubMed]  Article 
Target
Name:
Acyl-CoA:cholesterol acyltransferase
Synonyms:
ACAT
Type:
n/a
Mol. Mass.:
35405.31
Organism:
Oryctolagus cuniculus
Description:
n/a
Residue:
305
Sequence:
PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF
  
Inhibitor
Name:
BDBM50047664
Synonyms:
CHEMBL46744 | Hexadecane-1-sulfonic acid (2,4,6-trimethoxy-phenyl)-amide
Type:
Small organic molecule
Emp. Form.:
C25H45NO5S
Mol. Mass.:
471.694
SMILES:
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(OC)cc(OC)cc1OC
Structure:
Search PDB for entries with ligand similarity: