3R4M
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
Summary for 3R4M
Entry DOI | 10.2210/pdb3r4m/pdb |
Related | 3R4N 3R4O 3R4P |
Descriptor | Heat shock protein HSP 90-alpha, 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE (3 entities in total) |
Functional Keywords | chaperone, atp binding, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: P07900 |
Total number of polymer chains | 1 |
Total formula weight | 25892.44 |
Authors | Almassy, R.J. (deposition date: 2011-03-17, release date: 2011-04-27, Last modification date: 2024-02-21) |
Primary citation | 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 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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