Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438738
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
>3000±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 Chem 21:5081-97 (2013) [PubMed]  Article 
Target
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:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50438738
Synonyms:
CHEMBL2414682
Type:
Small organic molecule
Emp. Form.:
C23H28N4O4
Mol. Mass.:
424.4928
SMILES:
CN(C)c1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:18.18,wD:21.22,(19.7,-48.64,;21.01,-49.46,;22.39,-48.73,;20.96,-51.01,;19.6,-51.74,;19.55,-53.29,;20.86,-54.1,;22.23,-53.37,;23.41,-54.38,;24.94,-54.09,;25.65,-52.71,;25.01,-51.28,;26.03,-50.09,;27.53,-50.38,;28.53,-49.22,;28.02,-47.74,;26.53,-47.49,;25.53,-48.65,;29.05,-46.56,;28.55,-45.11,;29.55,-43.95,;31.04,-44.21,;32.06,-43.03,;33.58,-43.33,;34.6,-42.15,;34.08,-44.78,;31.55,-45.68,;30.55,-46.84,;23.52,-50.9,;23.23,-49.38,;22.28,-51.83,)|
Structure:
Search PDB for entries with ligand similarity: