2HFP

Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands

2HFP の概要

• エントリーDOI: 10.2210/pdb2hfp/pdb
• 分子名称: Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment, 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: ppar ppargamma lbd, transcription
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus: Q86U60
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 36028.53

構造登録者

Pokross, M.E.,Evdokimov, A.G.,Walter, R.L.,Mekel, M.J.,Hopkins, C.R. (登録日: 2006-06-25, 公開日: 2006-09-19, 最終更新日: 2024-02-14)

主引用文献

Hopkins, C.R.,O'neil, S.V.,Laufersweiler, M.C.,Wang, Y.,Pokross, M.,Mekel, M.,Evdokimov, A.,Walter, R.,Kontoyianni, M.,Petrey, M.E.,Sabatakos, G.,Roesgen, J.T.,Richardson, E.,Demuth Jr., T.P.
Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16:5659-5663, 2006

PubMed Abstract: The synthesis and structure-activity relationships of a novel series of N-sulfonyl-2-indole carboxamides that bind to peroxisome proliferator-activated receptor gamma (PPAR-gamma) are reported. Chemical optimization of the series led to the identification of 4q (IC(50)=50 nM) as a potent binding agent of PPAR-gamma. Also reported is preliminary cell based data suggesting the use of these compounds in the treatment of osteoporosis.

PubMed: 16919947
DOI: 10.1016/j.bmcl.2006.08.003

実験手法

X-RAY DIFFRACTION (2 Å)