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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438709
Substrate
n/a
Meas. Tech.
ChEMBL_976373 (CHEMBL2415509)
IC50
574±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:
BDBM50438709
Synonyms:
CHEMBL2413095
Type:
Small organic molecule
Emp. Form.:
C25H31N5O4
Mol. Mass.:
465.5447
SMILES:
Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)|
Structure:
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