2hog: Difference between revisions

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[[Image:2hog.jpg|left|200px]]
{{Seed}}
[[Image:2hog.png|left|200px]]


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{{STRUCTURE_2hog|  PDB=2hog  |  SCENE=  }}  
{{STRUCTURE_2hog|  PDB=2hog  |  SCENE=  }}  


'''crystal structure of Chek1 in complex with inhibitor 20'''
===crystal structure of Chek1 in complex with inhibitor 20===




==Overview==
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The development of 3-(indol-2-yl)indazoles as inhibitors of Chek1 kinase is described. Introduction of amides and heteroaryl groups at the C6 position of the indazole ring system provided sufficient Chek1 potency and selectivity over Cdk7 to permit escape from DNA damage-induced arrest in a cellular assay. Enzyme potency against Chek1 was optimized by the incorporation of a hydroxymethyl triazole moiety in compound 21 (Chek1 IC(50)=0.30nM) that was shown by X-ray crystallography to displace one of three highly conserved water molecules in the HI region of the ATP-binding cleft.
The line below this paragraph, {{ABSTRACT_PUBMED_16978863}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 16978863 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16978863}}


==About this Structure==
==About this Structure==
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[[Category: Chek1]]
[[Category: Chek1]]
[[Category: Kinase]]
[[Category: Kinase]]
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