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Target
Sterol O-acyltransferase 1
Ligand
BDBM50523597
Substrate
n/a
Meas. Tech.
ChEMBL_1890738 (CHEMBL4392492)
IC50
>10000±n/a nM
Citation
 Yu, Y; Wu, Z; Shi, ZC; He, S; Lai, Z; Cernak, TA; Vachal, P; Liu, M; Liu, J; Hong, Q; Jian, T; Guiadeen, D; Krikorian, A; Sperbeck, DM; Verras, A; Sonatore, LM; Murphy, BA; Wiltsie, J; Chung, CC; Gorski, JN; Liu, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; De Vita, RJ; Pinto, S; Nargund, RP Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC). Bioorg Med Chem Lett 29:1380-1385 (2019) [PubMed]  Article 
Target
Name:
Sterol O-acyltransferase 1
Synonyms:
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 | SOAT1_HUMAN | SOAT1 | ACACT | ACACT1 | ACAT | ACAT1 | SOAT | STAT
Type:
Multi-pass membrane protein may form homo- or heterodimers.
Mol. Mass.:
64751.94
Organism:
Human
Description:
P35610
Residue:
550
Sequence:
MVGEEKMSLRNRLSKSRENPEEDEDQRNPAKESLETPSNGRIDIKQLIAKKIKLTAEAEELKPFFMKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSVLEGEKNNHRAKDLRAPPEQGKIFIARRSLLDELLEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFSLLSYAFGKFPTVVWTWWIMFLSTFSVPYFLFQHWATGYSKSSHPLIRSLFHGFLFMIFQIGVLGFGPTYVVLAYTLPPASRFIIIFEQIRFVMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRNPTVRWGYVAMKFAQVFGCFFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSILPGVLILFLTFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYYYAYKDFLWFFSKRFKSAAMLAVFAVSAVVHEYALAVCLSFFYPVLFVLFMFFGMAFNFIVNDSRKKPIWNVLMWTSLFLGNGVLLCFYSQEWYARQHCPLKNPTFLDYVRPRSWTCRYVF
  
Inhibitor
Name:
BDBM50523597
Synonyms:
CHEMBL4561313
Type:
Small organic molecule
Emp. Form.:
C26H23N5O3
Mol. Mass.:
453.5
SMILES:
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C#N |r,wD:7.10,4.3,(71.52,-14.35,;70.76,-13.02,;69.22,-13.01,;71.53,-11.69,;70.76,-10.35,;71.53,-9.02,;70.76,-7.67,;69.23,-7.69,;68.45,-9.02,;69.22,-10.34,;68.46,-6.36,;66.92,-6.36,;66.14,-5.02,;64.6,-5.03,;63.84,-6.36,;64.61,-7.69,;66.15,-7.69,;62.3,-6.36,;61.53,-5.02,;59.99,-5.02,;59.22,-6.35,;59.99,-7.69,;61.53,-7.69,;57.69,-6.35,;56.78,-5.1,;55.31,-5.58,;53.98,-4.81,;52.65,-5.58,;52.64,-7.13,;53.98,-7.9,;55.31,-7.12,;56.78,-7.6,;51.32,-4.81,;49.98,-4.04,)|
Structure:
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