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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50117148
Substrate
n/a
Meas. Tech.
ChEMBL_1513968 (CHEMBL3616154)
IC50
2651±n/a nM
Citation
 Pagire, SH; Pagire, HS; Lee, GB; Han, SJ; Kwak, HJ; Kim, JY; Kim, KY; Rhee, SD; Ryu, JI; Song, JS; Bae, MA; Park, MJ; Kim, D; Lee, DH; Ahn, JH Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes. Eur J Med Chem 101:716-35 (2015) [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:
BDBM50117148
Synonyms:
CHEMBL3613334
Type:
Small organic molecule
Emp. Form.:
C25H34N2O6
Mol. Mass.:
458.5473
SMILES:
CC(C)(C)OC(=O)NCCNC(=O)c1ccc(OC2C3CC4CC2CC(C4)(C3)C(O)=O)cc1 |TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(4.08,-15.33,;3.9,-14.11,;4.87,-13.35,;5.04,-14.57,;2.47,-13.54,;2.24,-12.02,;3.21,-11.25,;.81,-11.45,;.59,-9.92,;-.85,-9.36,;-1.07,-7.83,;-2.5,-7.26,;-3.47,-8.03,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.17,;3.79,.17,;3.58,2.29,;-1.74,-3.26,;-1.52,-4.78,)|
Structure:
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