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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009394
Substrate
n/a
Meas. Tech.
ChEMBL_1335973 (CHEMBL3239094)
IC50
>5000±n/a nM
Citation
 Zhou, G; Ting, PC; Wishart, G; Zorn, N; Aslanian, RG; Lin, M; Smith, M; Walker, SS; Cook, J; Van Heek, M; Lachowicz, J Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors. Bioorg Med Chem Lett 24:1790-4 (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:
BDBM50009394
Synonyms:
CHEMBL3233875
Type:
Small organic molecule
Emp. Form.:
C28H27N3O3
Mol. Mass.:
453.5323
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(68.06,-14.35,;68.09,-12.82,;69.43,-12.06,;66.77,-12.02,;65.42,-12.77,;64.1,-11.98,;62.75,-12.73,;62.73,-14.26,;64.05,-15.06,;65.39,-14.31,;61.39,-15.02,;61.36,-16.56,;60.02,-17.31,;58.7,-16.51,;58.72,-14.98,;60.05,-14.23,;57.35,-17.26,;57.33,-18.8,;55.99,-19.55,;54.66,-18.76,;53.19,-19.22,;52.29,-17.96,;53.21,-16.72,;54.68,-17.21,;56.03,-16.47,;50.75,-17.95,;49.99,-16.61,;49.97,-19.27,;48.43,-19.26,;47.67,-17.91,;46.13,-17.9,;45.35,-19.23,;46.11,-20.57,;47.65,-20.58,)|
Structure:
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