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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502590
Substrate
n/a
Meas. Tech.
ChEMBL_1808007 (CHEMBL4307366)
EC50
12±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:
BDBM50502590
Synonyms:
CHEMBL4434994
Type:
Small organic molecule
Emp. Form.:
C25H28N4O3
Mol. Mass.:
432.5148
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cn1 |r,wU:7.10,wD:4.3,(26.75,-35.82,;25.42,-36.6,;25.42,-38.14,;24.09,-35.83,;22.75,-36.6,;21.42,-35.83,;20.08,-36.6,;20.09,-38.14,;21.43,-38.91,;22.75,-38.14,;18.76,-38.91,;18.77,-40.45,;17.44,-41.23,;16.1,-40.46,;16.09,-38.92,;17.42,-38.15,;14.77,-41.23,;13.43,-40.46,;12.1,-41.24,;12.12,-42.78,;10.78,-43.55,;9.45,-42.78,;8.04,-43.41,;7.01,-42.27,;7.77,-40.93,;9.28,-41.25,;7.15,-39.52,;7.69,-38.09,;6.25,-37.54,;5.7,-38.98,;13.44,-43.54,;14.78,-42.77,)|
Structure:
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