2r0u: Difference between revisions

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[[Image:2r0u.gif|left|200px]]
{{Seed}}
[[Image:2r0u.png|left|200px]]


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{{STRUCTURE_2r0u|  PDB=2r0u  |  SCENE=  }}  
{{STRUCTURE_2r0u|  PDB=2r0u  |  SCENE=  }}  


'''Crystal Structure of Chek1 in Complex with Inhibitor 54'''
===Crystal Structure of Chek1 in Complex with Inhibitor 54===




==Overview==
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From HTS lead 1, a novel benzoisoquinolinone class of ATP-competitive Chk1 inhibitors was devised and synthesized via a photochemical route. Using X-ray crystallography as a guide, potency was rapidly enhanced through the installation of a tethered basic amine designed to interact with an acidic residue (Glu91) in the enzyme pocket. Further SAR was explored at the solvent front and near to the H1 pocket and resulted in the discovery of low MW, sub-nanomolar inhibitors of Chk1.
The line below this paragraph, {{ABSTRACT_PUBMED_17900896}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_17900896}}


==About this Structure==
==About this Structure==
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[[Category: Transferase]]
[[Category: Transferase]]
[[Category: Ubl conjugation]]
[[Category: Ubl conjugation]]
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