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Title | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. |
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Journal, issue, pages | J. Med. Chem., Vol. 53, Page 5956-, Year 2010 |
Publish date | Mar 30, 2010 (structure data deposition date) |
Authors | Woodhead, A.J. / Angove, H. / Carr, M.G. / Chessari, G. / Congreve, M. / Coyle, J.E. / Cosme, J. / Graham, B. / Day, P.J. / Downham, R. ...Woodhead, A.J. / Angove, H. / Carr, M.G. / Chessari, G. / Congreve, M. / Coyle, J.E. / Cosme, J. / Graham, B. / Day, P.J. / Downham, R. / Fazal, L. / Feltell, R. / Figueroa, E. / Frederickson, M. / Lewis, J. / Mcmenamin, R. / Murray, C.W. / O'Brien, M.A. / Parra, L. / Patel, S. / Phillips, T. / Rees, D.C. / Rich, S. / Smith, D. / Trewartha, G. / Vinkovic, M. / Williams, B. / Woolford, A.J. |
External links | J. Med. Chem. / PubMed:20662534 |
Methods | X-ray diffraction |
Resolution | 1.66 - 2.25 Å |
Structure data | PDB-2xab: PDB-2xjg: PDB-2xjj: PDB-2xjx: |
Chemicals | ChemComp-VHD: ChemComp-HOH: ChemComp-XJG: ChemComp-GOL: ChemComp-L81: ChemComp-XJX: |
Source |
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Keywords | CHAPERONE / CANCER / ATP-BINDING / NUCLEOTIDE-BINDING / STRESS RESPONSE / ATP BINDING DOMAIN |