Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSterol O-acyltransferase 1
LigandBDBM50399707
Substrate/Competitorn/a
Meas. Tech.ChEMBL_876785 (CHEMBL2183602)
IC50 16000±n/a nM
Citation Barlind, JG; Bauer, UA; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Davies, RD; Eriksson, JW; Hammond, CD; Hovland, R; Johannesson, P; Johansson, MJ; Kemmitt, PD; Lindmark, BT; Morentin Gutierrez, P; Noeske, TA; Nordin, A; O'Donnell, CJ; Petersson, AU; Redzic, A; Turnbull, AV; Vinblad, 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:
BDBM50399707
n/a
NameBDBM50399707
Synonyms:CHEMBL2178384
TypeSmall organic molecule
Emp. Form.C20H23N3O2S
Mol. Mass.369.481
SMILESCc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=S |r,wU:13.14,wD:16.18,(45.97,-43.39,;44.63,-42.63,;43.3,-43.4,;41.96,-42.63,;41.96,-41.09,;43.3,-40.32,;44.63,-41.09,;45.96,-40.32,;47.3,-41.09,;48.63,-40.32,;48.63,-38.77,;47.29,-38.01,;45.96,-38.78,;49.96,-38,;49.95,-36.46,;51.29,-35.69,;52.63,-36.46,;53.96,-35.69,;55.29,-36.46,;56.63,-35.69,;55.29,-38,;52.62,-38,;51.3,-38.77,;40.63,-40.31,;39.3,-41.08,;40.63,-38.77,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: