3PEQ

PPARd complexed with a phenoxyacetic acid partial agonist

Summary for 3PEQ

• Entry DOI: 10.2210/pdb3peq/pdb
• Descriptor: Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, hexyl beta-D-glucopyranoside, ... (5 entities in total)
• Functional Keywords: ppar nuclear receptor, transcription-transcription agonist complex, transcription/transcription agonist
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 64687.89

Authors

Lambert, M.H.,Evans, K.A.,Shearer, B.G.,Wisnoski, D.D.,Shi, D.,Jin, J.,Rivero, R.A.,Sparks, S.M.,Winegar, D.A.,Billin, A.N.,Britt, C.,Way, J.M.,Leesnitzer, L.M.,Merrihew, R.V. (deposition date: 2010-10-27, release date: 2011-10-12, Last modification date: 2023-09-06)

Primary citation

Evans, K.A.,Shearer, B.G.,Wisnoski, D.D.,Shi, D.,Sparks, S.M.,Sternbach, D.D.,Winegar, D.A.,Billin, A.N.,Britt, C.,Way, J.M.,Epperly, A.H.,Leesnitzer, L.M.,Merrihew, R.V.,Xu, R.X.,Lambert, M.H.,Jin, J.
Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21:2345-2350, 2011

PubMed Abstract: A series of phenoxyacetic acids as subtype selective and potent hPPARδ partial agonists is described. Many analogues were readily accessible via a single solution-phase synthetic route which resulted in the rapid identification of key structure-activity relationships (SAR), and the discovery of two potent exemplars which were further evaluated in vivo. Details of the SAR, optimization, and in vivo efficacy of this series are presented herein.

PubMed: 21414782
DOI: 10.1016/j.bmcl.2011.02.077

Experimental method

X-RAY DIFFRACTION (2.4 Å)