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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438732
Substrate
n/a
Meas. Tech.
ChEMBL_976373 (CHEMBL2415509)
IC50
66±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:
BDBM50438732
Synonyms:
CHEMBL2414656
Type:
Small organic molecule
Emp. Form.:
C27H35N5O4
Mol. Mass.:
493.5979
SMILES:
COC1CCN(CC1)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:14.18,wD:11.11,(50.69,-40.93,;49.17,-40.68,;48.17,-41.89,;46.66,-41.63,;45.68,-42.82,;46.22,-44.29,;47.73,-44.51,;48.71,-43.33,;45.22,-45.51,;45.76,-46.95,;43.71,-45.25,;42.71,-46.47,;41.19,-46.22,;40.21,-47.4,;40.76,-48.87,;42.26,-49.09,;43.23,-47.91,;39.75,-50.09,;38.24,-49.84,;37.25,-51.03,;37.8,-52.48,;39.31,-52.71,;40.29,-51.53,;36.8,-53.69,;37.47,-55.1,;36.78,-56.5,;35.26,-56.83,;34.06,-55.83,;32.7,-56.61,;31.36,-55.82,;31.37,-54.26,;32.73,-53.49,;32.75,-51.94,;34.07,-54.29,;35.3,-53.33,;34.97,-51.8,)|
Structure:
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