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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209531
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<1±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:
BDBM209531
Synonyms:
US9271969, 19
Type:
Small organic molecule
Emp. Form.:
C32H35N3O3
Mol. Mass.:
509.6386
SMILES:
CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:29.32,(-10.45,7.08,;-11.22,5.75,;-12.76,5.75,;-10.45,4.41,;-8.91,4.41,;-8.14,3.08,;-8.91,1.75,;-8.14,.41,;-6.6,.41,;-5.83,-.92,;-6.6,-2.25,;-4.28,-.92,;-3.38,-2.17,;-1.92,-1.69,;-.58,-2.46,;.75,-1.69,;.75,-.15,;-.58,.62,;-1.92,-.15,;-3.38,.32,;2.09,-2.46,;2.09,-4,;3.42,-4.77,;4.75,-4,;4.75,-2.46,;3.42,-1.69,;6.09,-4.77,;7.42,-4,;8.75,-4.77,;8.75,-6.31,;10.09,-7.08,;11.42,-6.31,;12.76,-7.08,;11.42,-4.77,;7.42,-7.08,;6.09,-6.31,;-10.45,1.75,;-11.22,3.08,)|
Structure:
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