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Target
Sterol O-acyltransferase 1
Ligand
BDBM50399713
Substrate
n/a
Meas. Tech.
ChEMBL_876785 (CHEMBL2183602)
IC50
79000±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 Chem 55:10610-29 (2012) [PubMed]  Article 
Target
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:
MVGEEKMSLRNRLSKSRENPEEDEDQRNPAKESLETPSNGRIDIKQLIAKKIKLTAEAEELKPFFMKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSVLEGEKNNHRAKDLRAPPEQGKIFIARRSLLDELLEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFSLLSYAFGKFPTVVWTWWIMFLSTFSVPYFLFQHWATGYSKSSHPLIRSLFHGFLFMIFQIGVLGFGPTYVVLAYTLPPASRFIIIFEQIRFVMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRNPTVRWGYVAMKFAQVFGCFFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSILPGVLILFLTFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYYYAYKDFLWFFSKRFKSAAMLAVFAVSAVVHEYALAVCLSFFYPVLFVLFMFFGMAFNFIVNDSRKKPIWNVLMWTSLFLGNGVLLCFYSQEWYARQHCPLKNPTFLDYVRPRSWTCRYVF
  
Inhibitor
Name:
BDBM50399713
Synonyms:
CHEMBL2178950
Type:
Small organic molecule
Emp. Form.:
C19H21N3O3
Mol. Mass.:
339.3883
SMILES:
Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O |r,wU:13.14,wD:16.21,(8.54,-10.7,;7.21,-9.94,;5.88,-10.71,;4.54,-9.94,;4.54,-8.4,;5.87,-7.63,;7.2,-8.4,;8.53,-7.63,;9.87,-8.4,;11.21,-7.63,;11.2,-6.08,;9.87,-5.32,;8.54,-6.09,;12.53,-5.31,;12.52,-3.77,;13.86,-3,;15.2,-3.77,;15.2,-5.31,;13.87,-6.08,;16.53,-3,;17.86,-3.77,;16.53,-1.46,;3.2,-7.62,;1.87,-8.39,;3.21,-6.08,)|
Structure:
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