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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009396
Substrate
n/a
Meas. Tech.
ChEMBL_1335973 (CHEMBL3239094)
IC50
1090±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:
BDBM50009396
Synonyms:
CHEMBL3233877
Type:
Small organic molecule
Emp. Form.:
C29H28N2O3
Mol. Mass.:
452.5442
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(43.59,-26.51,;43.62,-24.98,;44.96,-24.23,;42.3,-24.19,;40.95,-24.93,;39.63,-24.14,;38.28,-24.89,;38.26,-26.43,;39.58,-27.22,;40.92,-26.47,;36.92,-27.18,;36.89,-28.72,;35.55,-29.47,;34.23,-28.68,;34.25,-27.15,;35.58,-26.39,;32.88,-29.43,;32.86,-30.96,;31.52,-31.71,;30.2,-30.92,;28.72,-31.39,;27.82,-30.12,;28.74,-28.88,;30.21,-29.37,;31.56,-28.63,;26.28,-30.11,;25.52,-28.77,;25.5,-31.43,;23.96,-31.42,;23.2,-30.08,;21.67,-30.06,;20.88,-31.39,;21.65,-32.73,;23.18,-32.74,)|
Structure:
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