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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020053
Substrate
n/a
Meas. Tech.
ChEMBL_1363772 (CHEMBL3294189)
IC50
45±n/a nM
Citation
 Zhou, G; Zorn, N; Ting, P; Aslanian, R; Lin, M; Cook, J; Lachowicz, J; Lin, A; Smith, M; Hwa, J; van Heek, M; Walker, S Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett 5:544-9 (2014) [PubMed]  Article 
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:
BDBM50020053
Synonyms:
CHEMBL3287867
Type:
Small organic molecule
Emp. Form.:
C31H34N2O4
Mol. Mass.:
498.6127
SMILES:
CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.30,wD:30.34,(2.93,-11.98,;4.47,-11.98,;5.24,-10.65,;4.47,-9.32,;5.24,-7.98,;4.47,-6.65,;5.24,-5.31,;2.93,-6.65,;2.16,-5.31,;.62,-5.31,;-.15,-3.98,;.62,-2.65,;2.16,-2.65,;2.93,-3.98,;6.78,-7.98,;7.55,-6.65,;9.09,-6.65,;9.86,-7.98,;9.09,-9.32,;7.55,-9.32,;6.78,-10.65,;11.4,-7.98,;12.17,-9.32,;13.71,-9.32,;14.48,-7.98,;13.71,-6.65,;12.17,-6.65,;16.02,-7.98,;16.79,-6.65,;18.33,-6.65,;19.1,-7.98,;20.64,-7.98,;21.41,-9.32,;22.95,-9.32,;20.64,-10.65,;18.33,-9.32,;16.79,-9.32,)|
Structure:
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