Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209542
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<10±n/a nM
Comments
extracted
Citation
 Kim, D; Bok, J; Shin, S Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme US Patent  US9271969 Publication Date 3/1/2016 
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:
BDBM209542
Synonyms:
US9271969, 30
Type:
Small organic molecule
Emp. Form.:
C30H27ClF3N3O3
Mol. Mass.:
570.002
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1C(F)(F)F |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-8.96,4.47,;-7.42,4.47,;-9.73,5.81,;-11.27,5.81,;-12.04,4.47,;-11.27,3.14,;-12.04,1.8,;-12.81,.47,;-10.71,1.03,;-13.38,2.57,)|
Structure:
Search PDB for entries with ligand similarity: