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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438718
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
210±n/a nM
Citation
 Dow, RL; Andrews, MP; Li, JC; Michael Gibbs, E; Guzman-Perez, A; Laperle, JL; Li, Q; Mather, D; Munchhof, MJ; Niosi, M; Patel, L; Perreault, C; Tapley, S; Zavadoski, WJ Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor. Bioorg Med Chem 21:5081-97 (2013) [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:
BDBM50438718
Synonyms:
CHEMBL2414671
Type:
Small organic molecule
Emp. Form.:
C23H26N6O3
Mol. Mass.:
434.4909
SMILES:
Cc1nnc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)o1 |r,wU:9.12,wD:6.5,(28.43,-43.63,;27.33,-42.54,;27.59,-41.02,;26.2,-40.32,;25.1,-41.43,;23.6,-41.18,;22.61,-42.39,;21.1,-42.14,;20.14,-43.32,;20.68,-44.78,;22.17,-45,;23.15,-43.82,;19.69,-45.99,;18.19,-45.74,;17.21,-46.92,;17.76,-48.37,;19.26,-48.6,;20.23,-47.42,;16.77,-49.57,;17.42,-50.96,;16.78,-52.36,;15.25,-52.69,;14.05,-51.71,;12.71,-52.48,;11.37,-51.7,;11.39,-50.15,;12.73,-49.39,;12.74,-47.85,;14.06,-50.17,;15.27,-49.22,;14.94,-47.71,;25.81,-42.79,)|
Structure:
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