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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209564
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<10±n/a nM
Comments
extracted
Citation
 Kim, D; Bok, J; Shin, S Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme US Patent  US9271969 Publication Date 3/1/2016 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
DGAT1_MOUSE | Dgat | Dgat1 | Diacyl Glycerolacyltransferase 1 (DGAT-1) | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Enzyme
Mol. Mass.:
56810.61
Organism:
Mus musculus (mouse)
Description:
In this assay, recombinant mouse DGAT-1 containing an N-terminal His6-epitope tag was produced in the baculovirus expression system.
Residue:
498
Sequence:
MGDRGGAGSSRRRRTGSRVSVQGGSGPKVEEDEVRDAAVSPDLGAGGDAPAPAPAPAHTRDKDGRTSVGDGYWDLRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCVIIASNIFVVAAFQIEKRLAVGALTEQMGLLLHVVNLATIICFPAAVALLVESITPVGSVFALASYSIMFLKLYSYRDVNLWCRQRRVKAKAVSTGKKVSGAAAQQAVSYPDNLTYRDLYYFIFAPTLCYELNFPRSPRIRKRFLLRRVLEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWFFHSCLNAVAELLQFGDREFYRDWWNAESVTYFWQNWNIPVHKWCIRHFYKPMLRHGSSKWVARTGVFLTSAFFHEYLVSVPLRMFRLWAFTAMMAQVPLAWIVGRFFQGNYGNAAVWVTLIIGQPVAVLMYVHDYYVLNYDAPVGV
  
Inhibitor
Name:
BDBM209564
Synonyms:
US9271969, 52
Type:
Small organic molecule
Emp. Form.:
C27H24F3N3O4S
Mol. Mass.:
543.557
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1cccc(OC(F)(F)F)c1 |r,wU:7.10,wD:4.3,(12.35,2,;10.88,2,;10.11,3.33,;10.11,.67,;8.57,.67,;7.8,2,;6.26,2,;5.49,.67,;6.26,-.67,;7.8,-.67,;3.95,.67,;3.18,-.67,;1.64,-.67,;.87,.67,;1.64,2,;3.18,2,;-.67,.67,;-1.58,-.58,;-3.05,-.1,;-4.51,-.58,;-5.41,.67,;-4.51,1.91,;-3.05,1.44,;-1.58,1.91,;-6.96,.67,;-7.73,2,;-7.73,-.67,;-9.27,-.67,;-10.04,.67,;-11.58,.67,;-12.35,-.67,;-11.58,-2,;-12.35,-3.33,;-13.89,-3.33,;-15.43,-3.33,;-13.89,-4.87,;-13.49,-1.85,;-10.04,-2,)|
Structure:
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