Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1 (DGAT1)
LigandBDBM50399679
Substrate/Competitorn/a
Meas. Tech.ChEMBL_876789
IC50 240±n/a nM
Citation Barlind JGBauer UABirch AMBirtles SBuckett LKButlin RJDavies RDEriksson JWHammond CDHovland RJohannesson PJohansson MJKemmitt PDLindmark BTMorentin Gutierrez PNoeske TANordin AO'Donnell CJPetersson AURedzic ATurnbull AVVinblad J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem 55:10610-29 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Diacylglycerol O-acyltransferase 1 (DGAT1)
Name:Diacylglycerol O-acyltransferase 1 (DGAT1)
Synonyms:ACAT-related gene product 1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diglyceride acyltransferase
Type:Protein
Mol. Mass.:55297.82
Organism:Homo sapiens (Human)
Description:O75907
Residue:488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVG
SGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQV
VSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPA
AVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHT
VSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWM
VPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREF
YRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVS
VPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLN
YEAPAAEA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50399679
n/a
NameBDBM50399679
Synonyms:CHEMBL2178949
TypeSmall organic molecule
Emp. Form.C22H25N3O3
Mol. Mass.379.4522
SMILESCc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@@H](CC2)C(O)=O)c1 |r,wD:18.18,21.26,(47.29,-23.74,;48.62,-22.97,;49.97,-23.74,;51.29,-22.97,;52.63,-23.74,;51.29,-21.44,;49.96,-20.66,;48.63,-21.43,;47.29,-20.66,;45.96,-21.43,;47.29,-19.12,;52.62,-20.67,;52.62,-19.12,;53.95,-18.35,;55.29,-19.12,;55.3,-20.66,;56.77,-21.13,;57.67,-19.87,;56.75,-18.63,;55.65,-17.55,;56.05,-16.06,;57.54,-15.65,;58.63,-16.74,;58.23,-18.22,;57.93,-14.17,;59.42,-13.76,;56.84,-13.08,;53.96,-21.44,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: