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TitleDesign and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 2278-2282, Year 2011
Publish dateFeb 22, 2011 (structure data deposition date)
AuthorsZapf, C.W. / Bloom, J.D. / McBean, J.L. / Dushin, R.G. / Nittoli, T. / Ingalls, C. / Sutherland, A.G. / Sonye, J.P. / Eid, C.N. / Golas, J. ...Zapf, C.W. / Bloom, J.D. / McBean, J.L. / Dushin, R.G. / Nittoli, T. / Ingalls, C. / Sutherland, A.G. / Sonye, J.P. / Eid, C.N. / Golas, J. / Liu, H. / Boschelli, F. / Hu, Y. / Vogan, E. / Levin, J.I.
External linksBioorg. Med. Chem. Lett. / PubMed:21420297
MethodsX-ray diffraction
Resolution1.5703 Å
Structure data

PDB-3qtf:
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
Method: X-RAY DIFFRACTION / Resolution: 1.5703 Å

Chemicals

ChemComp-05S:
(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCHAPERONE/CHAPERONE INHIBITOR / Chaperone / ATP binding domain / ATP-binding / Nucleotide-binding / Phosphoprotein / Stress response / CHAPERONE-CHAPERONE INHIBITOR complex

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