Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSterol O-acyltransferase 1
LigandBDBM50399712
Substrate/Competitorn/a
Meas. Tech.ChEMBL_876785 (CHEMBL2183602)
IC50>33000±n/a nM
Citation Barlind, JGBauer, UABirch, AMBirtles, SBuckett, LKButlin, RJDavies, RDEriksson, JWHammond, CDHovland, RJohannesson, PJohansson, MJKemmitt, PDLindmark, BTMorentin Gutierrez, PNoeske, TANordin, AO'Donnell, CJPetersson, AURedzic, ATurnbull, AVVinblad, J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem55:10610-29 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sterol O-acyltransferase 1
Name:Sterol O-acyltransferase 1
Synonyms:ACACT | ACACT1 | ACAT | ACAT1 | Acetyl-CoA acetyltransferase, mitochondrial | Acyl coenzyme A:cholesterol acyltransferase 1 | Acyl-CoA: cholesterol acyltransferase (ACAT) | Acyl-coenzyme A:cholesterol acyltransferase 1 (ACAT1) | Cholesterol acyltransferase 1 | SOAT | SOAT1 | SOAT1_HUMAN | STAT
Type:Multi-pass membrane protein may form homo- or heterodimers.
Mol. Mass.:64751.94
Organism:Homo sapiens (Human)
Description:P35610
Residue:550
Sequence:
MVGEEKMSLRNRLSKSRENPEEDEDQRNPAKESLETPSNGRIDIKQLIAKKIKLTAEAEE
LKPFFMKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSVLEGEKNNHRAKDLRAPPEQGK
IFIARRSLLDELLEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFSLLSYAFGK
FPTVVWTWWIMFLSTFSVPYFLFQHWATGYSKSSHPLIRSLFHGFLFMIFQIGVLGFGPT
YVVLAYTLPPASRFIIIFEQIRFVMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYF
LFAPTLIYRDSYPRNPTVRWGYVAMKFAQVFGCFFYVYYIFERLCAPLFRNIKQEPFSAR
VLVLCVFNSILPGVLILFLTFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTW
NVVVHDWLYYYAYKDFLWFFSKRFKSAAMLAVFAVSAVVHEYALAVCLSFFYPVLFVLFM
FFGMAFNFIVNDSRKKPIWNVLMWTSLFLGNGVLLCFYSQEWYARQHCPLKNPTFLDYVR
PRSWTCRYVF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50399712
n/a
NameBDBM50399712
Synonyms:CHEMBL2178951
TypeSmall organic molecule
Emp. Form.C20H23N3O3
Mol. Mass.353.4149
SMILESCc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:13.14,wD:16.18,(28.53,-10.23,;27.19,-9.46,;25.86,-10.23,;24.52,-9.46,;24.52,-7.92,;25.86,-7.15,;27.19,-7.93,;28.52,-7.16,;29.86,-7.93,;31.19,-7.16,;31.19,-5.61,;29.85,-4.84,;28.52,-5.62,;32.52,-4.84,;32.51,-3.3,;33.85,-2.53,;35.19,-3.3,;36.52,-2.53,;37.85,-3.3,;39.19,-2.53,;37.85,-4.84,;35.18,-4.84,;33.86,-5.61,;23.19,-7.15,;21.86,-7.92,;23.19,-5.61,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: