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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438719
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
185±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:
BDBM50438719
Synonyms:
CHEMBL2414672
Type:
Small organic molecule
Emp. Form.:
C23H26N6O2S
Mol. Mass.:
450.557
SMILES:
Cc1nnc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)s1 |r,wU:9.12,wD:6.5,(28.13,-42.45,;26.99,-41.4,;27.19,-39.86,;25.78,-39.21,;24.72,-40.37,;23.21,-40.18,;22.27,-41.42,;20.75,-41.23,;19.83,-42.45,;20.43,-43.88,;21.93,-44.05,;22.86,-42.83,;19.49,-45.13,;17.97,-44.93,;17.05,-46.16,;17.64,-47.58,;19.15,-47.76,;20.08,-46.54,;16.71,-48.82,;17.4,-50.18,;16.82,-51.61,;15.3,-51.99,;14.07,-51.06,;12.76,-51.88,;11.39,-51.15,;11.34,-49.6,;12.66,-48.79,;12.61,-47.25,;14.02,-49.52,;15.19,-48.52,;14.81,-47.03,;25.48,-41.7,)|
Structure:
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