Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50499981
Substrate
n/a
Meas. Tech.
ChEMBL_1541257 (CHEMBL3742563)
IC50
122±n/a nM
Citation
 Mougenot, P; Namane, C; Fett, E; Goumy, 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; Ménegotto, J; Schmidt, F; Venier, O; Viviani, F; Nicolai, E Synthesis and multiparametric evaluation of thiadiazoles and oxadiazoles as diacylglycerol acyltransferase type 1 inhibitors. Bioorg Med Chem Lett 26:25-32 (2016) [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:
BDBM50499981
Synonyms:
CHEMBL3742222
Type:
Small organic molecule
Emp. Form.:
C30H37N5O3S
Mol. Mass.:
547.711
SMILES:
O=C(C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccccc2)s1)NCCN1CCOCC1 |r,wU:6.9,wD:3.2,(-5.61,6,;-6.67,5.39,;-6.67,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-4.01,3.85,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.65,-5.7,;6.42,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,;-8.01,6.16,;-8.01,7.7,;-9.34,8.47,;-9.34,10.01,;-10.67,10.78,;-10.67,12.32,;-9.34,13.09,;-8,12.32,;-8.01,10.78,)|
Structure:
Search PDB for entries with ligand similarity: