3PEQ

PPARd complexed with a phenoxyacetic acid partial agonist

3PEQ の概要

• エントリーDOI: 10.2210/pdb3peq/pdb
• 分子名称: 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)
• 機能のキーワード: ppar nuclear receptor, transcription-transcription agonist complex, transcription/transcription agonist
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64687.89

構造登録者

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. (登録日: 2010-10-27, 公開日: 2011-10-12, 最終更新日: 2023-09-06)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.4 Å)