Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50380044
Substrate
n/a
Meas. Tech.
ChEMBL_810738 (CHEMBL2015971)
IC50
24±n/a nM
Citation
 Mougenot, P; Namane, C; Fett, E; Camy, F; Dadji-Faïhun, R; Langot, G; Monseau, C; Onofri, B; Pacquet, F; Pascal, C; Crespin, O; Ben-Hassine, M; Ragot, JL; Van-Pham, T; Philippo, C; Chatelain-Egger, F; Péron, P; Le Bail, JC; Guillot, E; Chamiot-Clerc, P; Chabanaud, MA; Pruniaux, MP; Schmidt, F; Venier, O; Nicolaï, E; Viviani, F Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1. Bioorg Med Chem Lett 22:2497-502 (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:
BDBM50380044
Synonyms:
CHEMBL2012614
Type:
Small organic molecule
Emp. Form.:
C23H29N3O3S
Mol. Mass.:
427.56
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CC2CCCC2)s1 |r,wU:7.10,wD:4.3,(41.54,-33.26,;40,-33.28,;39.25,-34.62,;39.22,-31.95,;37.68,-31.97,;36.89,-30.65,;35.35,-30.67,;34.6,-32.02,;35.38,-33.34,;36.92,-33.32,;33.07,-32.03,;32.28,-30.72,;30.75,-30.74,;30,-32.07,;30.77,-33.39,;32.32,-33.37,;28.46,-32.09,;27.67,-30.76,;27.7,-33.43,;26.16,-33.45,;25.24,-32.21,;23.78,-32.7,;23.8,-34.24,;22.46,-35,;21.24,-34.06,;21.28,-32.52,;19.83,-32,;18.89,-33.22,;19.76,-34.49,;25.27,-34.7,)|
Structure:
Search PDB for entries with ligand similarity: