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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438742
Substrate
n/a
Meas. Tech.
ChEMBL_976374 (CHEMBL2415510)
IC50
>3000±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:
BDBM50438742
Synonyms:
CHEMBL2414677
Type:
Small organic molecule
Emp. Form.:
C21H24N4O4
Mol. Mass.:
396.4397
SMILES:
Nc1ncnc2OCC(=O)N(Cc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,(28.52,-10.96,;28.5,-12.51,;27.15,-13.27,;27.13,-14.82,;28.47,-15.6,;29.82,-14.84,;31.01,-15.83,;32.53,-15.5,;33.22,-14.12,;34.76,-14.13,;32.55,-12.69,;31.06,-12.35,;29.83,-13.3,;33.55,-11.49,;35.05,-11.75,;36.03,-10.57,;35.49,-9.1,;34,-8.88,;33.02,-10.06,;36.49,-7.89,;35.96,-6.46,;36.94,-5.28,;38.44,-5.5,;39.43,-4.31,;40.95,-4.57,;41.95,-3.37,;41.5,-6.02,;38.98,-6.97,;38,-8.15,)|
Structure:
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