Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009398
Substrate
n/a
Meas. Tech.
ChEMBL_1335970 (CHEMBL3239091)
IC50
160±n/a nM
Citation
 Zhou, GTing, PCWishart, GZorn, NAslanian, RGLin, MSmith, MWalker, SSCook, JVan Heek, MLachowicz, J Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors. Bioorg Med Chem Lett 24:1790-4 (2014) [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:
BDBM50009398
Synonyms:
CHEMBL3233879
Type:
Small organic molecule
Emp. Form.:
C30H32N2O3
Mol. Mass.:
468.5867
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(21.29,-37.92,;21.28,-36.38,;22.61,-35.6,;19.94,-35.62,;18.62,-36.4,;17.27,-35.64,;15.94,-36.42,;15.96,-37.95,;17.3,-38.72,;18.62,-37.94,;14.64,-38.74,;14.65,-40.28,;13.32,-41.06,;11.98,-40.3,;11.97,-38.77,;13.29,-37.98,;10.66,-41.08,;9.32,-40.32,;7.98,-41.09,;8.01,-42.64,;6.69,-43.42,;6.7,-44.96,;8.04,-45.72,;9.37,-44.94,;9.35,-43.4,;10.67,-42.61,;5.35,-42.66,;5.34,-41.12,;4.02,-43.44,;2.68,-42.68,;2.67,-41.15,;1.33,-40.39,;0,-41.17,;.02,-42.72,;1.36,-43.47,)|
Structure:
Search PDB for entries with ligand similarity: