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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438705
Substrate
n/a
Meas. Tech.
ChEMBL_976373 (CHEMBL2415509)
IC50
774±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:
BDBM50438705
Synonyms:
CHEMBL2414698
Type:
Small organic molecule
Emp. Form.:
C21H24N8O2
Mol. Mass.:
420.4677
SMILES:
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(23.78,-52.15,;23.8,-53.69,;22.46,-54.48,;22.48,-56.03,;23.83,-56.79,;25.16,-56,;26.38,-56.96,;27.89,-56.59,;28.55,-55.2,;27.85,-53.8,;28.81,-52.58,;28.25,-51.14,;29.2,-49.94,;30.71,-50.17,;31.28,-51.59,;30.33,-52.79,;31.69,-48.94,;31.11,-47.48,;32.06,-46.28,;33.57,-46.51,;34.55,-45.27,;36.06,-45.49,;37.13,-44.36,;38.53,-45.04,;38.31,-46.57,;36.79,-46.84,;34.13,-47.92,;33.18,-49.12,;26.35,-53.47,;25.99,-51.97,;25.15,-54.45,)|
Structure:
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