Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020064
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
560±n/a nM
Citation
 Zhou, G; Zorn, N; Ting, P; Aslanian, R; Lin, M; Cook, J; Lachowicz, J; Lin, A; Smith, M; Hwa, J; van Heek, M; Walker, S Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett 5:544-9 (2014) [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:
BDBM50020064
Synonyms:
CHEMBL3286412
Type:
Small organic molecule
Emp. Form.:
C32H36N2O4
Mol. Mass.:
512.6392
SMILES:
CC(C)C1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.35,wD:28.31,(17.6,-1.43,;18.37,-2.77,;19.91,-2.77,;17.6,-4.1,;18.37,-5.44,;17.6,-6.77,;18.37,-8.1,;17.6,-9.44,;19.91,-8.1,;20.68,-9.44,;22.22,-9.44,;22.99,-10.77,;22.22,-12.1,;20.68,-12.1,;19.91,-10.77,;16.06,-6.77,;15.29,-8.1,;13.75,-8.1,;12.98,-6.77,;13.75,-5.44,;15.29,-5.44,;16.06,-4.1,;11.44,-6.77,;10.67,-5.44,;9.13,-5.44,;8.36,-6.77,;9.13,-8.1,;10.67,-8.1,;6.82,-6.77,;6.05,-5.44,;4.51,-5.44,;3.74,-6.77,;2.2,-6.77,;1.43,-5.44,;2.2,-4.1,;-.11,-5.44,;4.51,-8.1,;6.05,-8.1,)|
Structure:
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