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Target
Sterol O-acyltransferase 1
Ligand
BDBM50399688
Substrate
n/a
Meas. Tech.
ChEMBL_876785 (CHEMBL2183602)
IC50
44000±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:
BDBM50399688
Synonyms:
CHEMBL2178940
Type:
Small organic molecule
Emp. Form.:
C21H25N7O
Mol. Mass.:
391.4695
SMILES:
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:17.18,wD:20.22,(23.91,-49.49,;25.24,-48.72,;26.58,-49.49,;27.91,-48.72,;29.24,-49.48,;27.91,-47.18,;26.57,-46.41,;25.24,-47.17,;23.91,-46.4,;22.57,-47.17,;23.91,-44.86,;29.24,-46.41,;30.57,-47.18,;31.91,-46.41,;31.9,-44.86,;30.57,-44.1,;29.24,-44.87,;33.24,-44.09,;33.23,-42.55,;34.57,-41.78,;35.9,-42.55,;37.24,-41.78,;38.57,-42.55,;38.73,-44.08,;40.24,-44.4,;41.01,-43.07,;39.98,-41.92,;35.9,-44.09,;34.57,-44.86,)|
Structure:
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