Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438727
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
94±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:
BDBM50438727
Synonyms:
CHEMBL2414654
Type:
Small organic molecule
Emp. Form.:
C25H31N5O4
Mol. Mass.:
465.5447
SMILES:
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CCOCC4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(26.47,-50.14,;26.49,-51.7,;25.15,-52.5,;25.18,-54.05,;26.53,-54.81,;27.88,-54.01,;29.1,-54.96,;30.61,-54.6,;31.26,-53.18,;30.57,-51.79,;31.53,-50.57,;30.95,-49.12,;31.9,-47.91,;33.42,-48.13,;34,-49.55,;33.05,-50.76,;34.4,-46.89,;33.81,-45.43,;34.76,-44.22,;36.28,-44.44,;37.25,-43.2,;38.77,-43.42,;39.34,-44.85,;39.75,-42.18,;39.16,-40.72,;40.11,-39.51,;41.63,-39.73,;42.2,-41.16,;41.25,-42.36,;36.85,-45.87,;35.9,-47.07,;29.05,-51.47,;28.68,-49.96,;27.85,-52.45,)|
Structure:
Search PDB for entries with ligand similarity: