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TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50117184
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1513968 (CHEMBL3616154)
IC50 8.0±n/a nM
Citation Pagire, SHPagire, HSLee, GBHan, SJKwak, HJKim, JYKim, KYRhee, SDRyu, JISong, JSBae, MAPark, MJKim, DLee, DHAhn, 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 Chem101:716-35 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Diacylglycerol O-acyltransferase 1
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:
MGDRGGAGSSRRRRTGSRVSVQGGSGPKVEEDEVRDAAVSPDLGAGGDAPAPAPAPAHTR
DKDGRTSVGDGYWDLRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKY
GILVDPIQVVSLFLKDPYSWPAPCVIIASNIFVVAAFQIEKRLAVGALTEQMGLLLHVVN
LATIICFPAAVALLVESITPVGSVFALASYSIMFLKLYSYRDVNLWCRQRRVKAKAVSTG
KKVSGAAAQQAVSYPDNLTYRDLYYFIFAPTLCYELNFPRSPRIRKRFLLRRVLEMLFFT
QLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWFFHSCLNAV
AELLQFGDREFYRDWWNAESVTYFWQNWNIPVHKWCIRHFYKPMLRHGSSKWVARTGVFL
TSAFFHEYLVSVPLRMFRLWAFTAMMAQVPLAWIVGRFFQGNYGNAAVWVTLIIGQPVAV
LMYVHDYYVLNYDAPVGV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50117184
n/a
NameBDBM50117184
Synonyms:CHEMBL3613347
TypeSmall organic molecule
Emp. Form.C31H32N2O5
Mol. Mass.512.5962
SMILESOC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc4ccccc4c1)C(C3)C2 |r,wU:3.2,wD:9.10,TLB:8:3:6.7.9:36,10:9:4.37.3:36,THB:1:3:6.7.9:36,8:7:4.37.3:36,9:7:4:37.36.35,9:35:4:6.7.8,(3.58,2.29,;3.07,1.17,;3.79,.17,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.11,1.13,;-9.28,2.35,;-10.32,.17,;-11.75,.75,;-12.96,-.21,;-14.39,.37,;-15.6,-.59,;-15.43,-1.81,;-17.03,-.02,;-17.25,1.51,;-18.69,2.08,;-19.9,1.13,;-21.33,1.7,;-22.54,.75,;-22.32,-.77,;-20.89,-1.35,;-19.68,-.4,;-18.26,-.97,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Structure
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