Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacyl Glycerolacyltransferase 1 (DGAT-1)
LigandBDBM50385398
Substrate/Competitorn/a
Meas. Tech.ChEMBL_822967
IC50 0.5±n/a nM
Citation McCoull WAddie MSBirch AMBirtles SBuckett LKButlin RJBowker SSBoyd SChapman SDavies RDDonald CSGreen CPJenner CKemmitt PDLeach AGMoody GCGutierrez PMNewcombe NJNowak TPacker MJPlowright ATRevill JSchofield PSheldon CStokes STurnbull AVWang SJWhalley DPWood JM Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett 22:3873-8 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Diacyl Glycerolacyltransferase 1 (DGAT-1)
Name:Diacylglycerol O-acyltransferase 1
Synonyms:Diglyceride acyltransferase
Type:Multi-pass membrane protein
Mol. Mass.:56890.70
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:498
Sequence:
MGDRGGAGSSRRRRTGSRVSVQGGSGPKVEEDEVREAAVSPDLGAGGDAPAPAPAPAHTR
DKDRQTSVGDGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLSLENLIKY
GILVDPIQVVSLFLKDPYSWPAPCLIIASNIFIVATFQIEKRLSVGALTEQMGLLLHVVN
LATIICFPAAVALLVESITPVGSLFALASYSIIFLKLSSYRDVNLWCRQRRVKAKAVSAG
KKVSGAAAQNTVSYPDNLTYRDLYYFIFAPTLCYELNFPRSPRIRKRFLLRRVLEMLFFT
QLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAV
AELLQFGDREFYRDWWNAESVTYFWQNWNIPVHKWCIRHFYKPMLRLGSNKWMARTGVFW
ASAFFHEYLVSIPLRMFRLWAFTAMMAQVPLAWIVNRFFQGNYGNAAVWVTLIIGQPVAV
LMYVHDYYVLNYDAPVGA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50385398
n/a
NameBDBM50385398
Synonyms:CHEMBL2036730
TypeSmall organic molecule
Emp. Form.C23H22F2N4O4
Mol. Mass.456.442
SMILESOC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: