Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020060
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
950±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:
BDBM50020060
Synonyms:
CHEMBL3287885
Type:
Small organic molecule
Emp. Form.:
C30H32N2O4
Mol. Mass.:
484.5861
SMILES:
[H][C@@]1(CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1)C(C)C(O)=O |r,wU:4.7,1.0,(35.97,-15.33,;35.2,-16.67,;34.43,-15.33,;32.89,-15.33,;32.12,-16.67,;32.89,-18,;34.43,-18,;30.58,-16.67,;29.81,-18,;28.27,-18,;27.5,-16.67,;28.27,-15.33,;29.81,-15.33,;25.96,-16.67,;25.19,-15.33,;23.65,-15.33,;22.88,-16.67,;21.34,-16.67,;20.57,-18,;21.34,-19.34,;22.88,-19.34,;23.65,-18,;25.19,-18,;20.57,-15.33,;21.34,-14,;19.03,-15.33,;18.26,-14,;19.03,-12.67,;18.26,-11.33,;16.72,-11.33,;15.95,-12.67,;16.72,-14,;36.74,-16.67,;37.51,-18,;37.51,-15.33,;36.74,-14,;39.05,-15.33,)|
Structure:
Search PDB for entries with ligand similarity: