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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020085
Substrate
n/a
Meas. Tech.
ChEMBL_1363772 (CHEMBL3294189)
IC50
69±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:
BDBM50020085
Synonyms:
CHEMBL3287877
Type:
Small organic molecule
Emp. Form.:
C32H36N2O4
Mol. Mass.:
512.6392
SMILES:
CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.62,-16.39,;4.66,-17.93,;3.34,-18.73,;6.01,-18.67,;6.04,-20.21,;7.39,-20.95,;8.71,-20.15,;8.68,-18.61,;7.32,-17.87,;7.29,-16.34,;8.61,-15.53,;9.95,-16.27,;8.57,-13.99,;7.22,-13.25,;7.18,-11.71,;8.5,-10.91,;9.85,-11.65,;11.16,-10.85,;12.52,-11.59,;12.55,-13.13,;11.24,-13.93,;9.88,-13.19,;13.83,-10.79,;13.79,-9.25,;15.11,-8.45,;16.46,-9.19,;16.5,-10.73,;15.18,-11.53,;17.78,-8.39,;17.74,-6.85,;19.06,-6.05,;20.41,-6.79,;21.72,-5.99,;21.69,-4.45,;23,-3.65,;20.33,-3.7,;20.44,-8.33,;19.13,-9.13,)|
Structure:
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