Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020083
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
>10000±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:
BDBM50020083
Synonyms:
CHEMBL3287872
Type:
Small organic molecule
Emp. Form.:
C29H28N2O4
Mol. Mass.:
468.5436
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)c1nc2ccccc2o1 |r,wU:4.3,wD:7.10,(3.07,-6.86,;4.61,-6.86,;5.38,-5.53,;5.38,-8.2,;6.92,-8.2,;7.69,-6.86,;9.23,-6.86,;10,-8.2,;9.23,-9.53,;7.69,-9.53,;11.54,-8.2,;12.31,-6.86,;13.85,-6.86,;14.62,-8.2,;13.85,-9.53,;12.31,-9.53,;16.16,-8.2,;16.93,-9.53,;18.47,-9.53,;19.24,-8.2,;20.78,-8.2,;21.55,-6.86,;20.78,-5.53,;19.24,-5.53,;18.47,-6.86,;16.93,-6.86,;21.55,-9.53,;20.92,-10.94,;22.07,-11.97,;22.07,-13.51,;23.4,-14.28,;24.73,-13.51,;24.73,-11.97,;23.4,-11.2,;23.08,-9.69,)|
Structure:
Search PDB for entries with ligand similarity: