Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020046
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
20±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:
BDBM50020046
Synonyms:
CHEMBL3287878
Type:
Small organic molecule
Emp. Form.:
C30H28F4N2O4
Mol. Mass.:
556.5479
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |r,wU:4.3,wD:7.10,(21.59,-12.75,;22.36,-11.41,;23.9,-11.41,;21.59,-10.08,;20.05,-10.08,;19.28,-11.41,;17.74,-11.41,;16.97,-10.08,;17.74,-8.74,;19.28,-8.74,;15.43,-10.08,;14.66,-11.41,;13.12,-11.41,;12.35,-10.08,;13.12,-8.74,;14.66,-8.74,;10.81,-10.08,;10.04,-8.74,;8.5,-8.74,;7.73,-10.08,;6.19,-10.08,;5.42,-11.41,;6.19,-12.75,;7.73,-12.75,;8.5,-11.41,;10.04,-11.41,;5.42,-8.74,;6.19,-7.41,;3.88,-8.74,;3.11,-7.41,;3.88,-6.08,;3.11,-4.74,;1.57,-4.74,;.8,-3.41,;.8,-6.08,;1.57,-7.41,;.8,-8.74,;-.62,-8.96,;1.42,-10.14,;.03,-10.08,)|
Structure:
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