Reaction Details Report a problem with these data
Target
Sterol O-acyltransferase 1
Ligand
BDBM50466747
Substrate
n/a
Meas. Tech.
ChEMBL_1793846 (CHEMBL4265765)
IC50
1200±n/a nM
Citation
 Shibuya, K; Kawamine, K; Ozaki, C; Ohgiya, T; Edano, T; Yoshinaka, Y; Tsunenari, Y Discovery of Clinical Candidate 2-(4-(2-((1 H-Benzo[ d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)- N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide Hydrochloride [K-604], an Aqueous-Soluble Acyl-CoA:Cholesterol O-Acyltransferase-1 Inhibitor. J Med Chem 61:10635-10650 (2018) [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:
Human
Description:
P35610
Residue:
550
Sequence:
MVGEEKMSLRNRLSKSRENPEEDEDQRNPAKESLETPSNGRIDIKQLIAKKIKLTAEAEELKPFFMKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSVLEGEKNNHRAKDLRAPPEQGKIFIARRSLLDELLEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFSLLSYAFGKFPTVVWTWWIMFLSTFSVPYFLFQHWATGYSKSSHPLIRSLFHGFLFMIFQIGVLGFGPTYVVLAYTLPPASRFIIIFEQIRFVMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRNPTVRWGYVAMKFAQVFGCFFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSILPGVLILFLTFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYYYAYKDFLWFFSKRFKSAAMLAVFAVSAVVHEYALAVCLSFFYPVLFVLFMFFGMAFNFIVNDSRKKPIWNVLMWTSLFLGNGVLLCFYSQEWYARQHCPLKNPTFLDYVRPRSWTCRYVF
  
Inhibitor
Name:
BDBM50466747
Synonyms:
CHEMBL4288312
Type:
Small organic molecule
Emp. Form.:
C27H34N2O2S
Mol. Mass.:
450.636
SMILES:
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](CSc2nc3ccccc3o2)CC1 |r,wU:15.15,wD:18.19,(18.51,-25.31,;19.29,-23.98,;20.83,-23.99,;18.53,-22.65,;20.07,-22.65,;20.84,-21.31,;20.06,-19.97,;18.52,-19.98,;17.74,-18.65,;18.5,-17.31,;16.2,-18.67,;17.76,-21.32,;16.22,-21.32,;15.46,-22.66,;16.23,-23.99,;13.92,-22.66,;13.15,-23.99,;11.62,-24,;10.85,-22.67,;9.31,-22.68,;8.53,-21.35,;6.99,-21.36,;6.09,-22.62,;4.61,-22.15,;3.27,-22.92,;1.93,-22.15,;1.93,-20.6,;3.26,-19.83,;4.6,-20.6,;6.07,-20.11,;11.6,-21.33,;13.14,-21.33,)|
Structure:
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