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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438699
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
2960±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:
BDBM50438699
Synonyms:
CHEMBL2414676
Type:
Small organic molecule
Emp. Form.:
C21H28N4O2
Mol. Mass.:
368.4726
SMILES:
Nc1ncnc2OCCN(Cc12)c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1 |r,wU:18.20,wD:21.24,(23.56,-14.58,;23.51,-16.13,;22.14,-16.86,;22.09,-18.41,;23.41,-19.22,;24.78,-18.49,;25.95,-19.5,;27.48,-19.2,;28.19,-17.82,;27.55,-16.4,;26.06,-16.02,;24.82,-16.95,;28.57,-15.21,;30.07,-15.5,;31.07,-14.34,;30.56,-12.85,;29.07,-12.6,;28.07,-13.76,;31.58,-11.67,;31.08,-10.22,;32.08,-9.06,;33.58,-9.32,;34.59,-8.15,;36.11,-8.44,;37.13,-7.26,;34.09,-10.79,;33.09,-11.96,)|
Structure:
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