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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438741
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
>3000±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:
BDBM50438741
Synonyms:
CHEMBL2414679
Type:
Small organic molecule
Emp. Form.:
C21H23N3O5
Mol. Mass.:
397.4244
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2nc[nH]c(=O)c2C1=O |r,wU:7.10,wD:4.3,(30.06,-36.09,;29.05,-37.28,;29.57,-38.72,;27.53,-36.99,;26.52,-38.18,;25.03,-37.95,;24.04,-39.11,;24.56,-40.55,;26.06,-40.82,;27.05,-39.65,;23.54,-41.75,;24.07,-43.23,;23.08,-44.39,;21.58,-44.12,;21.06,-42.68,;22.05,-41.51,;20.57,-45.32,;21.22,-46.74,;20.52,-48.12,;19,-48.44,;17.82,-47.44,;16.46,-48.19,;15.13,-47.39,;15.16,-45.83,;16.52,-45.09,;16.56,-43.55,;17.85,-45.9,;19.08,-44.96,;18.77,-43.44,)|
Structure:
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