Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50438722
Substrate/Competitorn/a
Meas. Tech.ChEMBL_976374 (CHEMBL2415510)
IC50 146±n/a nM
Citation Dow, RLAndrews, MPLi, JCMichael Gibbs, EGuzman-Perez, ALaperle, JLLi, QMather, DMunchhof, MJNiosi, MPatel, LPerreault, CTapley, SZavadoski, WJ Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor. Bioorg Med Chem21:5081-97 (2013) [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:
BDBM50438722
n/a
NameBDBM50438722
Synonyms:CHEMBL2414685
TypeSmall organic molecule
Emp. Form.C23H28N4O4
Mol. Mass.424.4928
SMILESCC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:11.11,wD:14.15,(25.71,-50.99,;24.21,-50.62,;24.18,-52.16,;24.9,-49.24,;24.24,-47.82,;25.24,-46.63,;26.75,-46.9,;27.73,-45.73,;27.2,-44.26,;25.71,-44.03,;24.73,-45.2,;28.2,-43.07,;27.67,-41.64,;28.65,-40.47,;30.15,-40.7,;31.14,-39.52,;32.66,-39.79,;33.66,-38.6,;33.19,-41.23,;30.68,-42.17,;29.7,-43.33,;22.76,-47.47,;22.45,-45.96,;21.54,-48.41,;20.22,-47.62,;20.25,-46.08,;18.87,-48.36,;18.83,-49.91,;20.16,-50.7,;21.52,-49.95,;22.7,-50.94,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: