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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209558
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<50±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:
BDBM209558
Synonyms:
US9271969, 46
Type:
Small organic molecule
Emp. Form.:
C31H35N3O3S
Mol. Mass.:
529.693
SMILES:
CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:26.28,wD:29.32,(-13.15,-4,;-11.61,-4,;-10.84,-5.33,;-10.07,-4,;-10.84,-2.67,;-11.61,-1.33,;-10.84,,;-9.3,,;-8.53,1.33,;-6.99,1.33,;-6.22,2.67,;-6.99,4,;-4.68,2.67,;-3.77,1.42,;-2.31,1.9,;-.85,1.42,;.06,2.67,;-.85,3.91,;-2.31,3.44,;-3.77,3.91,;1.6,2.67,;2.37,1.33,;3.91,1.33,;4.68,2.67,;3.91,4,;2.37,4,;6.22,2.67,;6.99,4,;8.53,4,;9.3,2.67,;10.84,2.67,;11.61,4,;13.15,4,;10.84,5.33,;8.53,1.33,;6.99,1.33,;-8.53,-1.33,;-9.3,-2.67,)|
Structure:
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