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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209551
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:
BDBM209551
Synonyms:
US9271969, 39
Type:
Small organic molecule
Emp. Form.:
C28H25F2N3O3
Mol. Mass.:
489.5132
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F |r,wD:4.3,(11.99,-5.08,;10.65,-4.31,;10.65,-2.77,;9.32,-5.08,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,1.08,;-11.22,1.08,;-11.99,-.25,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,)|
Structure:
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