Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50355145
Substrate/Competitorn/a
Meas. Tech.ChEMBL_772696 (CHEMBL1837164)
IC50 77±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:
BDBM50355145
n/a
NameBDBM50355145
Synonyms:CHEMBL1833980
TypeSmall organic molecule
Emp. Form.C20H23N3O4
Mol. Mass.369.4143
SMILESNc1ncnc2OC[C@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.19,wD:20.23,8.12,(9.41,-10.55,;9.42,-12.09,;8.09,-12.86,;8.08,-14.41,;9.42,-15.18,;10.76,-14.41,;12.1,-15.18,;13.44,-14.4,;13.44,-12.85,;12.09,-12.07,;10.75,-12.86,;14.76,-12.08,;16.1,-12.84,;17.43,-12.06,;17.41,-10.51,;16.06,-9.76,;14.74,-10.55,;18.73,-9.73,;18.71,-8.2,;20.04,-7.41,;21.38,-8.17,;22.71,-7.39,;24.05,-8.15,;24.06,-9.69,;25.38,-7.36,;21.39,-9.71,;20.07,-10.49,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: