Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020069
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
580±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:
BDBM50020069
Synonyms:
CHEMBL3287869
Type:
Small organic molecule
Emp. Form.:
C30H31NO4
Mol. Mass.:
469.5714
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Cc1ccccc1 |r,wU:7.10,wD:4.3,(22.61,-2.81,;21.3,-3.62,;21.35,-5.16,;19.94,-2.9,;18.64,-3.71,;17.28,-2.99,;15.97,-3.81,;16.02,-5.34,;17.38,-6.07,;18.69,-5.25,;14.72,-6.16,;13.35,-5.43,;12.05,-6.24,;12.1,-7.78,;13.46,-8.51,;14.76,-7.7,;10.79,-8.6,;10.85,-10.14,;9.54,-10.95,;8.18,-10.23,;6.86,-11.05,;5.5,-10.31,;5.46,-8.76,;6.78,-7.95,;8.13,-8.69,;9.44,-7.87,;6.91,-12.58,;8.26,-13.31,;5.6,-13.39,;5.65,-14.92,;4.34,-15.71,;4.39,-17.25,;5.74,-17.98,;7.05,-17.16,;6.99,-15.63,)|
Structure:
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