2bts: Difference between revisions

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[[Image:2bts.gif|left|200px]]
{{Seed}}
[[Image:2bts.png|left|200px]]


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{{STRUCTURE_2bts|  PDB=2bts  |  SCENE=  }}  
{{STRUCTURE_2bts|  PDB=2bts  |  SCENE=  }}  


'''STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032'''
===STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032===




==Overview==
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N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50=808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50=20 nM). The syntheses, structure-based analog design, kinases inhibition data and X-ray crystallographic structures of CDK2/inhibitor complexes are reported.
The line below this paragraph, {{ABSTRACT_PUBMED_16260160}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 16260160 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16260160}}


==About this Structure==
==About this Structure==
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[[Category: Serine/threonine-protein 2 kinase]]
[[Category: Serine/threonine-protein 2 kinase]]
[[Category: Transferase]]
[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 16:27:28 2008''
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