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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50117185
Substrate
n/a
Meas. Tech.
ChEMBL_1513968 (CHEMBL3616154)
IC50
69±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:
BDBM50117185
Synonyms:
CHEMBL3613344
Type:
Small organic molecule
Emp. Form.:
C34H36N2O5
Mol. Mass.:
552.66
SMILES:
OC(=O)CC1C2CC3CC1CC(C3)(C2)Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1 |TLB:3:4:6:13.12.11,14:11:6:8.9.4,THB:12:7:4:13.11.10,12:11:6.7.8:4,10:11:6:8.9.4,10:9:6:13.12.11,14:11:6.7.8:4,(-2.02,-3.15,;-3.17,-2.69,;-4.14,-3.45,;-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,;3.97,-.08,;5.51,.07,;6.4,-1.18,;5.77,-2.58,;4.24,-2.73,;3.34,-1.48,;6.67,-3.83,;7.89,-3.71,;6.03,-5.24,;6.93,-6.49,;6.29,-7.89,;7.19,-9.15,;6.55,-10.55,;5.33,-10.67,;7.45,-11.8,;6.82,-13.21,;7.71,-14.46,;9.25,-14.3,;9.88,-12.9,;8.98,-11.65,;10.15,-15.56,;9.52,-16.96,;10.42,-18.21,;11.95,-18.05,;12.58,-16.65,;11.68,-15.4,)|
Structure:
Search PDB for entries with ligand similarity: