2i40: Difference between revisions
New page: left|200px<br /> <applet load="2i40" size="450" color="white" frame="true" align="right" spinBox="true" caption="2i40, resolution 2.80Å" /> '''Cdk2/Cyclin A compl... |
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[[Image:2i40.gif|left|200px]]<br /> | [[Image:2i40.gif|left|200px]]<br /><applet load="2i40" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2i40" size=" | |||
caption="2i40, resolution 2.80Å" /> | caption="2i40, resolution 2.80Å" /> | ||
'''Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor'''<br /> | '''Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
The identification and hit-to-lead exploration of a novel, potent and | The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family. | ||
==About this Structure== | ==About this Structure== | ||
2I40 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with BLZ as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22] Full crystallographic information is available from [http:// | 2I40 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=BLZ:'>BLZ</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2I40 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Shewchuk, L | [[Category: Shewchuk, L M.]] | ||
[[Category: BLZ]] | [[Category: BLZ]] | ||
[[Category: cdk2]] | [[Category: cdk2]] | ||
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[[Category: kinase]] | [[Category: kinase]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:48:47 2008'' | ||
Revision as of 18:48, 21 February 2008
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Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor
OverviewOverview
The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family.
About this StructureAbout this Structure
2I40 is a Protein complex structure of sequences from Homo sapiens with as ligand. Active as Cyclin-dependent kinase, with EC number 2.7.11.22 Full crystallographic information is available from OCA.
ReferenceReference
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase., Bamborough P, Christopher JA, Cutler GJ, Dickson MC, Mellor GW, Morey JV, Patel CB, Shewchuk LM, Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. Epub 2006 Sep 25. PMID:16997559
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