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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209537
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
5.3±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:
BDBM209537
Synonyms:
US9271969, 25
Type:
Small organic molecule
Emp. Form.:
C35H32FN3O4
Mol. Mass.:
577.6447
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 |r,wD:4.3,(15.07,-7.08,;13.73,-6.31,;13.73,-4.77,;12.4,-7.08,;11.06,-6.31,;11.06,-4.77,;9.73,-4,;8.4,-4.77,;8.4,-6.31,;9.73,-7.08,;7.06,-4,;5.73,-4.77,;4.4,-4,;4.4,-2.46,;5.73,-1.69,;7.06,-2.46,;3.06,-1.69,;3.06,-.15,;1.73,.62,;.39,-.15,;-1.07,.32,;-1.98,-.92,;-1.07,-2.17,;.39,-1.69,;1.73,-2.46,;-3.52,-.92,;-4.29,-2.25,;-4.29,.41,;-5.83,.41,;-6.6,1.75,;-8.14,1.75,;-8.91,3.08,;-8.14,4.41,;-8.91,5.75,;-10.45,5.75,;-11.22,4.41,;-12.76,4.41,;-13.53,5.75,;-15.07,5.75,;-12.76,7.08,;-11.22,7.08,;-6.6,4.41,;-5.83,3.08,)|
Structure:
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