Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50438733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_976373 (CHEMBL2415509)
IC50 41±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:
BDBM50438733
n/a
NameBDBM50438733
Synonyms:CHEMBL2414667
TypeSmall organic molecule
Emp. Form.C21H23N5O2
Mol. Mass.377.4396
SMILESNc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC#N)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(28.43,-50.53,;28.37,-52.07,;27.01,-52.81,;26.96,-54.35,;28.27,-55.17,;29.63,-54.44,;30.8,-55.45,;32.31,-55.15,;33.03,-53.79,;32.4,-52.36,;33.42,-51.18,;34.91,-51.47,;35.91,-50.32,;35.41,-48.84,;33.93,-48.59,;32.93,-49.74,;36.43,-47.66,;35.94,-46.22,;36.94,-45.07,;38.43,-45.32,;39.44,-44.16,;40.96,-44.45,;42.47,-44.74,;38.94,-46.8,;37.93,-47.95,;30.93,-51.98,;30.63,-50.46,;29.68,-52.89,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: