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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209517
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<125±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:
BDBM209517
Synonyms:
US9271969, 5
Type:
Small organic molecule
Emp. Form.:
C29H26F3N3O4
Mol. Mass.:
537.5296
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(OC(F)(F)F)c1 |r,wD:4.3,(11.99,-3.85,;10.65,-3.08,;10.65,-1.54,;9.32,-3.85,;7.98,-3.08,;7.98,-1.54,;6.65,-.77,;5.32,-1.54,;5.32,-3.08,;6.65,-3.85,;3.98,-.77,;2.65,-1.54,;1.32,-.77,;1.32,.77,;2.65,1.54,;3.98,.77,;-.02,1.54,;-.02,3.08,;-1.35,3.85,;-2.69,3.08,;-4.15,3.56,;-5.06,2.31,;-4.15,1.06,;-2.69,1.54,;-1.35,.77,;-6.59,2.31,;-7.37,3.64,;-7.37,.98,;-8.91,.98,;-9.67,2.31,;-11.22,2.31,;-11.99,.98,;-11.22,-.36,;-11.99,-1.69,;-11.22,-3.02,;-10.45,-4.36,;-9.88,-2.25,;-12.55,-3.79,;-9.67,-.36,)|
Structure:
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