3R4P

Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

3R4P の概要

• エントリーDOI: 10.2210/pdb3r4p/pdb
• 関連するPDBエントリー: 3R4M 3R4N 3R4O
• 分子名称: Heat shock protein HSP 90-alpha, 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: chaperone, atp binding, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P07900
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 52475.29

構造登録者

Gajiwala, K.S. (登録日: 2011-03-17, 公開日: 2011-04-27, 最終更新日: 2024-02-21)

• 主引用文献: Zehnder, L.,Bennett, M.,Meng, J.,Huang, B.,Ninkovic, S.,Wang, F.,Braganza, J.,Tatlock, J.,Jewell, T.,Zhou, J.Z.,Burke, B.,Wang, J.,Maegley, K.,Mehta, P.P.,Yin, M.J.,Gajiwala, K.S.,Hickey, M.J.,Yamazaki, S.,Smith, E.,Kang, P.,Sistla, A.,Dovalsantos, E.,Gehring, M.R.,Kania, R.,Wythes, M.,Kung, P.P.; Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.; J.Med.Chem., 54:3368-3385, 2011; PubMed: 21438541; DOI: 10.1021/jm200128m

実験手法

X-RAY DIFFRACTION (1.7 Å)