Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399711
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
1900±n/a nM
Citation
 Barlind, JGBauer, UABirch, AMBirtles, SBuckett, LKButlin, RJDavies, RDEriksson, JWHammond, CDHovland, RJohannesson, PJohansson, MJKemmitt, PDLindmark, BTMorentin Gutierrez, PNoeske, TANordin, AO'Donnell, CJPetersson, AURedzic, ATurnbull, AVVinblad, J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem 55:10610-29 (2012) [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:
BDBM50399711
Synonyms:
CHEMBL2178952
Type:
Small organic molecule
Emp. Form.:
C19H21N3O3
Mol. Mass.:
339.3883
SMILES:
NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:15.16,wD:18.20,(41.53,-9,;42.87,-8.23,;42.87,-6.69,;44.2,-9,;44.2,-10.54,;45.54,-11.32,;46.87,-10.54,;46.87,-9.01,;45.53,-8.24,;48.2,-8.24,;49.53,-9.01,;50.87,-8.24,;50.86,-6.69,;49.53,-5.93,;48.2,-6.7,;52.2,-5.92,;52.19,-4.38,;53.53,-3.61,;54.86,-4.38,;56.2,-3.61,;57.53,-4.38,;58.86,-3.61,;57.53,-5.92,;54.86,-5.92,;53.53,-6.69,)|
Structure:
Search PDB for entries with ligand similarity: