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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020079
Substrate
n/a
Meas. Tech.
ChEMBL_1363772 (CHEMBL3294189)
IC50
>10000±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:
BDBM50020079
Synonyms:
CHEMBL3287859
Type:
Small organic molecule
Emp. Form.:
C29H30N2O4
Mol. Mass.:
470.5595
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2OCCN(C(=O)Nc3ccccc3)c2c1 |r,wU:7.10,wD:4.3,(28.28,-.1,;26.95,-.87,;26.95,-2.41,;25.61,-.1,;24.28,-.87,;22.95,-.1,;21.61,-.87,;21.61,-2.41,;22.95,-3.18,;24.28,-2.41,;20.28,-3.18,;20.28,-4.72,;18.94,-5.49,;17.61,-4.72,;17.61,-3.18,;18.94,-2.41,;16.28,-5.49,;16.28,-7.03,;14.94,-7.8,;13.61,-7.03,;12.28,-7.8,;10.94,-7.03,;10.94,-5.49,;12.28,-4.72,;12.28,-3.18,;13.61,-2.41,;10.94,-2.41,;10.94,-.87,;9.61,-.1,;9.61,1.44,;10.94,2.21,;12.28,1.44,;12.28,-.1,;13.61,-5.49,;14.94,-4.72,)|
Structure:
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