Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020074
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
3100±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:
BDBM50020074
Synonyms:
CHEMBL3287888
Type:
Small organic molecule
Emp. Form.:
C30H33N3O5S
Mol. Mass.:
547.665
SMILES:
CS(=O)(=O)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:11.14,wD:8.7,(24.03,-4.14,;22.72,-4.94,;21.23,-5.33,;21.63,-3.84,;22.76,-6.48,;21.44,-7.28,;20.09,-6.54,;21.48,-8.82,;20.17,-9.62,;18.81,-8.88,;17.5,-9.67,;17.54,-11.21,;18.89,-11.95,;20.2,-11.15,;16.22,-12.01,;14.87,-11.27,;13.56,-12.07,;13.6,-13.61,;14.95,-14.35,;16.26,-13.55,;12.28,-14.41,;12.32,-15.95,;11.01,-16.75,;9.65,-16.01,;8.34,-16.81,;6.99,-16.07,;6.95,-14.53,;8.27,-13.73,;9.62,-14.47,;10.93,-13.67,;8.38,-18.35,;9.72,-19.08,;7.06,-19.15,;7.1,-20.69,;5.78,-21.48,;5.82,-23.02,;7.17,-23.76,;8.49,-22.95,;8.45,-21.42,)|
Structure:
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