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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020051
Substrate
n/a
Meas. Tech.
ChEMBL_1363772 (CHEMBL3294189)
IC50
34±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:
BDBM50020051
Synonyms:
CHEMBL3287874
Type:
Small organic molecule
Emp. Form.:
C31H34N2O5
Mol. Mass.:
514.6121
SMILES:
CCOc1ccc(NC(=O)N2CCOc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:29.32,wD:26.28,(-1.18,-9.52,;.15,-10.29,;1.49,-9.52,;2.82,-10.29,;2.82,-11.83,;4.16,-12.6,;5.49,-11.83,;6.82,-12.6,;8.16,-11.83,;8.16,-10.29,;9.49,-12.6,;9.49,-14.14,;10.82,-14.91,;12.16,-14.14,;12.16,-12.6,;13.49,-11.83,;13.49,-10.29,;12.16,-9.52,;10.82,-10.29,;10.82,-11.83,;14.82,-9.52,;16.16,-10.29,;17.49,-9.52,;17.49,-7.98,;16.16,-7.21,;14.82,-7.98,;18.83,-7.21,;20.16,-7.98,;21.49,-7.21,;21.49,-5.67,;22.83,-4.9,;24.16,-5.67,;25.49,-4.9,;24.16,-7.21,;20.16,-4.9,;18.83,-5.67,;5.49,-10.29,;4.16,-9.52,)|
Structure:
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