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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502587
Substrate
n/a
Meas. Tech.
ChEMBL_1808007 (CHEMBL4307366)
EC50
56±n/a nM
Citation
 Harrison, TJ; Bauer, D; Berdichevsky, A; Chen, X; Duvadie, R; Hoogheem, B; Hatsis, P; Liu, Q; Mao, J; Miduturu, V; Rocheford, E; Zecri, F; Zessis, R; Zheng, R; Zhu, Q; Streeper, R; Patel, SJ Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett 10:1128-1133 (2019) [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:
BDBM50502587
Synonyms:
CHEMBL4463125
Type:
Small organic molecule
Emp. Form.:
C28H30N2O5
Mol. Mass.:
474.5482
SMILES:
CCc1nc(C)c(o1)C(=O)Nc1ccc(cc1)-c1ccc(cc1)C12CCC(CC(O)=O)(CC1)OC2 |(4.98,-14.22,;6.51,-14.06,;7.13,-12.65,;6.36,-11.32,;7.39,-10.17,;7.06,-8.66,;8.79,-10.79,;8.64,-12.33,;10.13,-10.01,;10.12,-8.47,;11.46,-10.78,;12.79,-10.01,;14.12,-10.78,;15.45,-10.01,;15.45,-8.47,;14.11,-7.7,;12.78,-8.47,;16.78,-7.69,;18.11,-8.46,;19.44,-7.69,;19.44,-6.14,;18.1,-5.38,;16.77,-6.16,;20.77,-5.37,;22.1,-6.14,;23.43,-5.37,;23.43,-3.83,;24.77,-3.06,;26.1,-3.83,;27.43,-3.06,;26.1,-5.37,;22.1,-3.06,;20.76,-3.83,;22.61,-5.12,;21.52,-4.03,)|
Structure:
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