Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1 (DGAT1)
LigandBDBM50399685
Substrate/Competitorn/a
Meas. Tech.ChEMBL_876789
IC50 30±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:
BDBM50399685
n/a
NameBDBM50399685
Synonyms:CHEMBL2178943
TypeSmall organic molecule
Emp. Form.C21H24ClN3O3
Mol. Mass.401.887
SMILESCc1nc(C)c(nc1C(N)=O)-c1ccc([C@H]2CC[C@H](CC(O)=O)CC2)c(Cl)c1 |r,wU:15.15,wD:18.19,(21.76,-10.54,;23.09,-9.77,;24.44,-10.54,;25.76,-9.77,;27.1,-10.53,;25.76,-8.23,;24.43,-7.46,;23.09,-8.23,;21.76,-7.45,;20.43,-8.22,;21.76,-5.91,;27.09,-7.46,;27.09,-5.92,;28.42,-5.15,;29.76,-5.91,;31.09,-5.14,;31.08,-3.6,;32.42,-2.83,;33.76,-3.6,;35.09,-2.83,;36.42,-3.6,;37.76,-2.83,;36.42,-5.14,;33.75,-5.14,;32.43,-5.91,;29.76,-7.46,;31.1,-8.23,;28.43,-8.23,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: