BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcyl coenzyme A:cholesterol acyltransferase 1
LigandBDBM50037635
Substrate/Competitorn/a
Meas. Tech.ChEBML_28027
IC50 3800±n/a nM
Citation Wilde, RJBillheimer, JTGermain, SJGillies, PJHigley, CAKezar, HSMaduskuie, TPShimshick, ESWexler, RR Acyl CoA:cholesterol acyltransferase (ACAT) inhibitors: ureas bearing heterocyclic groups bioisosteric for an imidazole Bioorg Med Chem Lett5:167-72 (1995)  
More Info.:Get all data from this article,  Assay Method
 
Acyl coenzyme A:cholesterol acyltransferase 1
Name:Acyl coenzyme A:cholesterol acyltransferase 1
Synonyms:ACAT-1 | Acetoacetyl-CoA thiolase | Acetyl-CoA acetyltransferase, mitochondrial | Acyl-coenzyme A:cholesterol acyltransferase 1 | Cholesterol acyltransferase 1 | Sterol O-acyltransferase 1
Type:PROTEIN
Mol. Mass.:63818.83
Organism:Mus musculus
Description:ChEMBL_90523
Residue:540
Sequence:
MSLRNRLSKSGENPEQDEAQKNFMDTYRNGHITMKQLIAKKRLLAAEAEELKPLFMKEVG
CHFDDFVTNLIEKSASLDNGGCALTTFSILEEMKKNHRAKDLRAPPEQGKIFISRQSLLD
ELFEVDHIRTIYHMFIALLILFVLSTIVVDYIDEGRLVLEFNLLAYAFGKFPTVIWTWWA
MFLSTLSIPYFLFQRWAHGYSKSSHPLIYSLVHGLLFLVFQLGVLGFVPTYVVLAYTLPP
ASRFILILEQIRLIMKAHSFVRENIPRVLNAAKEKSSKDPLPTVNQYLYFLFAPTLIYRD
NYPRTPTVRWGYVAMQFLQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSI
LPGVLILFLSFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYY
YVYKDLLWFFSKRFKSAAMLAVFALSAVVHEYALAICLSYFYPVLFVLFMFFGMAFNFIV
NDSRKRPIWNIMVWASLFLGYGLILCFYSQEWYARQHCPLKNPTFLDYVRPRTWTCRYVF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50037635
NameBDBM50037635
Synonyms:3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea | CHEMBL298199
TypeSmall organic molecule
Emp. Form.C35H42F2N4OS
Mol. Mass.604.796
SMILESCCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a