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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438714
Substrate
n/a
Meas. Tech.
ChEMBL_976373 (CHEMBL2415509)
IC50
253±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:
BDBM50438714
Synonyms:
CHEMBL2414673
Type:
Small organic molecule
Emp. Form.:
C23H27N7O2
Mol. Mass.:
433.5062
SMILES:
Cc1nnc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)[nH]1 |r,wU:9.12,wD:6.5,(30.61,-38.38,;29.24,-39.09,;28.98,-40.61,;27.46,-40.84,;26.76,-39.48,;25.25,-39.23,;24.25,-40.44,;22.75,-40.18,;21.78,-41.36,;22.32,-42.83,;23.81,-43.04,;24.78,-41.87,;21.32,-44.02,;19.82,-43.77,;18.84,-44.95,;19.38,-46.41,;20.89,-46.63,;21.86,-45.46,;18.4,-47.59,;19.04,-48.99,;18.39,-50.39,;16.86,-50.71,;15.67,-49.72,;14.32,-50.49,;12.99,-49.7,;13,-48.16,;14.35,-47.4,;14.37,-45.86,;15.68,-48.18,;16.9,-47.24,;16.58,-45.72,;27.86,-38.38,)|
Structure:
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