2cct

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2cct, resolution 2.30Å ()
Ligands:
Related: 1byq, 1osf, 1uy6, 1uy7, 1uy8, 1uy9, 1uyc, 1uyd, 1uye, 1uyf, 1uyg, 1uyh, 1uyi, 1uyk, 1uyl, 1yc1, 1yc3, 1yc4, 1yer, 1yes, 1yet, 2bsm, 2bt0, 2byh, 2byi, 2bz5, 2c2l, 2ccs, 2ccu
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE

Publication Abstract from PubMed

Novel piperazinyl, morpholino and piperidyl derivatives of the pyrazole-based Hsp90 inhibitor CCT018159 are described. Structure-activity relationships have been elucidated by X-ray co-crystal analysis of the new compounds bound to the N-terminal domain of human Hsp90. Key features of the binding mode are essentially identical to the recently reported potent analogue VER-49009. The most potent of the new compounds has a methylsulfonylbenzyl substituent appended to the piperazine nitrogen, possesses an IC50 of less than 600 nM binding against the enzyme and demonstrates low micromolar inhibition of tumour cell proliferation.

4-Amino derivatives of the Hsp90 inhibitor CCT018159., Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L, Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PMID:16480864

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

About this Structure

2cct is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L. 4-Amino derivatives of the Hsp90 inhibitor CCT018159. Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PMID:16480864 doi:10.1016/j.bmcl.2006.01.099

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