3R4N
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
3R4N の概要
エントリーDOI | 10.2210/pdb3r4n/pdb |
関連するPDBエントリー | 3R4M 3R4O 3R4P |
分子名称 | Heat shock protein HSP 90-alpha, 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine (3 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 | 51857.19 |
構造登録者 | |
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 Cited by PubMed: 21438541DOI: 10.1021/jm200128m 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2 Å) |
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