Reaction Details Report a problem with these data
Target
Acyl-CoA:cholesterol acyltransferase
Ligand
BDBM50051886
Substrate
n/a
Meas. Tech.
ChEMBL_28783 (CHEMBL641693)
IC50
4300±n/a nM
Citation
 Astles, PC; Ashton, MJ; Bridge, AW; Harris, NV; Hart, TW; Parrott, DP; Porter, B; Riddell, D; Smith, C; Williams, RJ Acyl-CoA:Cholesterol O-acyltransferase (ACAT) inhibitors. 2. 2-(1,3-Dioxan-2-yl)-4,5-diphenyl-1H-imidazoles as potent inhibitors of ACAT. J Med Chem 39:1423-32 (1996) [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:
BDBM50051886
Synonyms:
CHEMBL289465 | [2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-methanol
Type:
Small organic molecule
Emp. Form.:
C21H22N2O3
Mol. Mass.:
350.411
SMILES:
CC1(CO)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.45,-11.21,;10.45,-12.74,;11.94,-13.14,;12.33,-14.62,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,)|
Structure:
Search PDB for entries with ligand similarity: