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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020082
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:
BDBM50020082
Synonyms:
CHEMBL3287871
Type:
Small organic molecule
Emp. Form.:
C29H31NO5S
Mol. Mass.:
505.625
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)S(=O)(=O)Cc1ccccc1 |r,wU:7.10,wD:4.3,(29.7,-15.27,;31.04,-16.03,;32.36,-15.24,;31.06,-17.57,;29.73,-18.35,;28.39,-17.59,;27.07,-18.38,;27.09,-19.92,;28.43,-20.67,;29.75,-19.89,;25.76,-20.7,;24.42,-19.94,;23.1,-20.73,;23.12,-22.27,;24.46,-23.02,;25.78,-22.24,;21.79,-23.05,;21.81,-24.59,;20.49,-25.37,;19.15,-24.62,;17.82,-25.4,;16.48,-24.64,;16.47,-23.1,;17.79,-22.32,;19.13,-23.07,;20.45,-22.29,;17.84,-26.93,;16.35,-26.52,;17.44,-28.4,;19.16,-27.72,;19.12,-29.26,;17.78,-30,;17.75,-31.54,;19.06,-32.34,;20.4,-31.6,;20.44,-30.06,)|
Structure:
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