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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209538
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:
BDBM209538
Synonyms:
US9271969, 26
Type:
Small organic molecule
Emp. Form.:
C32H33N3O5
Mol. Mass.:
539.6215
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1 |r,wD:4.3,(12.21,-7.42,;10.74,-6.62,;10.74,-5.08,;9.43,-7.3,;8.1,-6.53,;8.1,-4.99,;6.76,-4.22,;5.43,-4.99,;5.43,-6.53,;6.76,-7.3,;4.1,-4.22,;2.76,-4.99,;1.43,-4.22,;1.43,-2.68,;2.76,-1.91,;4.1,-2.68,;.1,-1.91,;.1,-.37,;-1.24,.4,;-2.57,-.37,;-4.04,.11,;-4.94,-1.14,;-4.04,-2.39,;-2.57,-1.91,;-1.24,-2.68,;-6.48,-1.14,;-7.25,-2.47,;-7.25,.19,;-6.48,1.53,;-7.25,2.86,;-6.48,4.19,;-7.25,5.53,;-8.79,5.53,;-9.35,6.96,;-10.83,7.42,;-12.1,6.55,;-12.21,5.01,;-11.09,3.97,;-9.56,4.19,;-8.79,2.86,)|
Structure:
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