4ZYF

Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with NVP-CGM097

4ZYF の概要

• エントリーDOI: 10.2210/pdb4zyf/pdb
• 関連するPDBエントリー: 4DIJ 4OQ3 4ZYC
• 分子名称: E3 ubiquitin-protein ligase Mdm2, (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: ppi with p53, inhibitor complex, cell cycle
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus, nucleoplasm: Q00987
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 11850.76

構造登録者

Kallen, J. (登録日: 2015-05-21, 公開日: 2015-07-29, 最終更新日: 2024-01-10)

• 主引用文献: Holzer, P.,Masuya, K.,Furet, P.,Kallen, J.,Valat-Stachyra, T.,Ferretti, S.,Berghausen, J.,Bouisset-Leonard, M.,Buschmann, N.,Pissot-Soldermann, C.,Rynn, C.,Ruetz, S.,Stutz, S.,Chene, P.,Jeay, S.,Gessier, F.; Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.; J.Med.Chem., 58:6348-6358, 2015; PubMed: 26181851; DOI: 10.1021/acs.jmedchem.5b00810

実験手法

X-RAY DIFFRACTION (1.8 Å)