2ccs

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[[Image:2ccs.gif|left|200px]]
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{{Seed}}
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[[Image:2ccs.png|left|200px]]
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{{STRUCTURE_2ccs| PDB=2ccs | SCENE= }}
{{STRUCTURE_2ccs| PDB=2ccs | SCENE= }}
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'''HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL'''
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===HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 16480864 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16480864}}
==About this Structure==
==About this Structure==
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[[Category: Phosphorylation]]
[[Category: Phosphorylation]]
[[Category: Pyrazole]]
[[Category: Pyrazole]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 21:49:44 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 11:23:37 2008''

Revision as of 08:23, 28 July 2008

Image:2ccs.png

Template:STRUCTURE 2ccs

HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL

Template:ABSTRACT PUBMED 16480864

About this Structure

2CCS is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

Page seeded by OCA on Mon Jul 28 11:23:37 2008

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