3r92

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3r92, resolution 1.58Å ()
Ligands:
Gene: HSP90A, HSP90AA1, HSPC1, HSPCA (Homo sapiens)


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.

Publication Abstract from PubMed

A novel series of macrocyclic ortho-aminobenzamide Hsp90 inhibitors is reported. In continuation of our research, heterocycle-containing tethers were explored with the intent to further improve potency and minimize hERG liabilities. This effort culminated in the discovery of compound 10, which efficiently suppressed proliferation of HCT116 and U87 cells. This compound showed prolonged Hsp90-inhibitory activity at least 24h post-administration consistent with elevated and prolonged exposure in the tumor. When studied in a xenograft model, the compound demonstrated significant suppression of tumor growth.

Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model., Zapf CW, Bloom JD, McBean JL, Dushin RG, Golas JM, Liu H, Lucas J, Boschelli F, Vogan E, Levin JI, Bioorg Med Chem Lett. 2011 Jun 15;21(12):3627-31. Epub 2011 Apr 28. PMID:21605975

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3r92 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Zapf CW, Bloom JD, McBean JL, Dushin RG, Golas JM, Liu H, Lucas J, Boschelli F, Vogan E, Levin JI. Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3627-31. Epub 2011 Apr 28. PMID:21605975 doi:10.1016/j.bmcl.2011.04.102

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