Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50355149
Substrate/Competitorn/a
Meas. Tech.ChEMBL_772696 (CHEMBL1837164)
IC50 735±n/a nM
Citation Dow, RLAndrews, MAspnes, GEBalan, GMichael Gibbs, EGuzman-Perez, AKarki, KLaperle, JLLi, JCLitchfield, JMunchhof, MJPerreault, CPatel, L Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett21:6122-5 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Diacylglycerol O-acyltransferase 1
Name:Diacylglycerol O-acyltransferase 1
Synonyms:ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | 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:
BDBM50355149
n/a
NameBDBM50355149
Synonyms:CHEMBL1834558
TypeSmall organic molecule
Emp. Form.C21H25N3O4
Mol. Mass.383.4409
SMILESCC1(COc2ncnc(N)c2O1)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(33.4,-24.14,;32.31,-23.06,;32.32,-24.61,;30.97,-25.39,;29.63,-24.62,;28.3,-25.39,;26.96,-24.62,;26.96,-23.08,;28.29,-22.31,;28.29,-20.77,;29.63,-23.07,;30.96,-22.28,;33.64,-22.29,;34.98,-23.05,;36.3,-22.27,;36.29,-20.73,;34.93,-19.97,;33.62,-20.76,;37.61,-19.95,;37.58,-18.41,;38.91,-17.62,;40.26,-18.38,;41.58,-17.6,;42.93,-18.36,;42.94,-19.9,;44.25,-17.58,;40.27,-19.92,;38.95,-20.7,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: