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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502593
Substrate
n/a
Meas. Tech.
ChEMBL_1808007 (CHEMBL4307366)
EC50
8.0±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:
BDBM50502593
Synonyms:
CHEMBL4578901
Type:
Small organic molecule
Emp. Form.:
C26H29N3O4
Mol. Mass.:
447.5262
SMILES:
CCc1nc(C)c(o1)C(=O)Nc1ccc(nc1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:23.25,wD:26.29,(29.78,-24.78,;31.31,-24.62,;31.93,-23.21,;31.16,-21.88,;32.19,-20.73,;31.87,-19.23,;33.6,-21.35,;33.44,-22.89,;34.93,-20.58,;34.93,-19.04,;36.26,-21.34,;37.6,-20.57,;37.59,-19.04,;38.91,-18.26,;40.26,-19.03,;40.26,-20.57,;38.93,-21.34,;41.58,-18.25,;42.92,-19.02,;44.25,-18.25,;44.24,-16.71,;42.9,-15.94,;41.57,-16.72,;45.57,-15.93,;45.56,-14.4,;46.9,-13.62,;48.23,-14.39,;49.57,-13.62,;50.9,-14.39,;52.24,-13.62,;50.9,-15.93,;48.23,-15.93,;46.91,-16.7,)|
Structure:
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