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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209527
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
9.9±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:
BDBM209527
Synonyms:
US9271969, 15
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2N3O3
Mol. Mass.:
522.422
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wD:4.3,(9.67,-6.41,;8.34,-5.64,;8.34,-4.1,;7.01,-6.41,;5.67,-5.64,;5.67,-4.1,;4.34,-3.33,;3.01,-4.1,;3.01,-5.64,;4.34,-6.41,;1.67,-3.33,;.34,-4.1,;-.99,-3.33,;-.99,-1.79,;.34,-1.02,;1.67,-1.79,;-2.33,-1.02,;-2.33,.52,;-3.66,1.29,;-5,.52,;-6.46,.99,;-7.36,-.25,;-6.46,-1.5,;-5,-1.02,;-3.66,-1.79,;-8.9,-.25,;-9.67,-1.59,;-9.67,1.08,;-8.9,2.41,;-9.67,3.75,;-8.9,5.08,;-7.36,5.08,;-6.59,6.41,;-6.59,3.75,;-5.05,3.75,;-7.36,2.41,)|
Structure:
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