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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438729
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
85±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:
BDBM50438729
Synonyms:
CHEMBL2414651
Type:
Small organic molecule
Emp. Form.:
C26H35N5O4
Mol. Mass.:
481.5872
SMILES:
CC(C)[C@H](CO)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:3.5,13.16,wD:10.9,(35.51,-41.58,;36.49,-40.39,;38.01,-40.66,;35.96,-38.95,;36.95,-37.77,;38.47,-38.03,;34.45,-38.69,;33.46,-39.89,;34,-41.32,;31.94,-39.63,;30.96,-40.82,;29.46,-40.6,;28.48,-41.77,;29.01,-43.2,;30.52,-43.46,;31.49,-42.28,;28.02,-44.41,;28.56,-45.87,;27.59,-47.05,;26.09,-46.8,;25.56,-45.37,;26.53,-44.19,;25.09,-48,;25.76,-49.42,;25.08,-50.8,;23.56,-51.13,;22.37,-50.14,;21.03,-50.91,;19.69,-50.13,;19.71,-48.57,;21.05,-47.82,;21.07,-46.28,;22.38,-48.61,;23.6,-47.66,;23.28,-46.14,)|
Structure:
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