Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50380046
Substrate
n/a
Meas. Tech.
ChEMBL_810739 (CHEMBL2015972)
IC50
46±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:
BDBM50380046
Synonyms:
CHEMBL2012628
Type:
Small organic molecule
Emp. Form.:
C24H24FN3O3S
Mol. Mass.:
453.529
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 |r,wU:7.10,wD:4.3,(15.26,-9.38,;13.72,-9.4,;12.97,-10.74,;12.94,-8.08,;11.4,-8.1,;10.61,-6.77,;9.07,-6.79,;8.32,-8.14,;9.1,-9.46,;10.64,-9.44,;6.78,-8.16,;6,-6.84,;4.46,-6.86,;3.72,-8.19,;4.49,-9.51,;6.04,-9.5,;2.18,-8.21,;1.39,-6.88,;1.42,-9.55,;-.12,-9.57,;-1.04,-8.33,;-2.5,-8.83,;-2.48,-10.37,;-3.83,-11.12,;-5.15,-10.34,;-6.48,-11.09,;-7.81,-10.32,;-7.8,-8.77,;-6.45,-8.01,;-6.44,-6.47,;-5.13,-8.8,;-1.01,-10.83,)|
Structure:
Search PDB for entries with ligand similarity: