Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50438739
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:
BDBM50438739
Synonyms:
CHEMBL2414681
Type:
Small organic molecule
Emp. Form.:
C22H26N4O4
Mol. Mass.:
410.4662
SMILES:
CNc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:17.17,wD:20.21,(32.94,-48.64,;34.26,-49.45,;34.21,-51.01,;32.85,-51.74,;32.8,-53.28,;34.12,-54.1,;35.49,-53.36,;36.67,-54.37,;38.19,-54.06,;38.9,-52.69,;38.26,-51.26,;39.28,-50.07,;40.78,-50.36,;41.77,-49.2,;41.26,-47.71,;39.76,-47.47,;38.77,-48.63,;42.28,-46.53,;41.77,-45.08,;42.77,-43.92,;44.27,-44.17,;45.28,-43,;46.8,-43.29,;47.31,-44.74,;47.82,-42.1,;44.78,-45.65,;43.78,-46.81,;36.77,-50.89,;36.47,-49.37,;35.53,-51.82,)|
Structure:
Search PDB for entries with ligand similarity: