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3ekr

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3ekr, resolution 2.00Å ()
Ligands: ,
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens)
Related: 3eko


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



Contents

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone

Publication Abstract from PubMed

Information from X-ray crystal structures were used to optimize the potency of a HTS hit in a Hsp90 competitive binding assay. A class of novel and potent small molecule Hsp90 inhibitors were thereby identified. Enantio-pure compounds 31 and 33 were potent in PGA-based competitive binding assay and inhibited proliferation of various human cancer cell lines in vitro, with IC(50) values averaging 20 nM.

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone., Kung PP, Funk L, Meng J, Collins M, Zhou JZ, Johnson MC, Ekker A, Wang J, Mehta P, Yin MJ, Rodgers C, Davies JF 2nd, Bayman E, Smeal T, Maegley KA, Gehring MR, Bioorg Med Chem Lett. 2008 Dec 1;18(23):6273-8. Epub 2008 Sep 26. PMID:18929486

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

About this Structure

3ekr is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Kung PP, Funk L, Meng J, Collins M, Zhou JZ, Johnson MC, Ekker A, Wang J, Mehta P, Yin MJ, Rodgers C, Davies JF 2nd, Bayman E, Smeal T, Maegley KA, Gehring MR. Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6273-8. Epub 2008 Sep 26. PMID:18929486 doi:S0960-894X(08)01149-9

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