3ctq

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{{STRUCTURE_3ctq| PDB=3ctq | SCENE= }}
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'''Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide'''
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===Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide===
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==Overview==
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A computer-aided drug design strategy leads to the identification of a new class of p38 inhibitors based on the 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) scaffold. The tolyl triazole amides provided a potent platform amenable to optimization. Further exploration leads to compounds with greater than 100-fold improvement in binding affinity to p38. Derivatives prepared to alter the physicochemical properties produced inhibitors with IC(50)'s in human whole blood as low as 83nM.
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(as it appears on PubMed at http://www.pubmed.gov), where 18462940 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18462940}}
==About this Structure==
==About this Structure==
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[[Category: Transferase]]
[[Category: Transferase]]
[[Category: Two lobe kinase fold]]
[[Category: Two lobe kinase fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 06:17:21 2008''

Revision as of 03:17, 28 July 2008

Template:STRUCTURE 3ctq

Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide

Template:ABSTRACT PUBMED 18462940

About this Structure

3CTQ is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase., Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD, Bioorg Med Chem Lett. 2008 Apr 25;. PMID:18462940

Page seeded by OCA on Mon Jul 28 06:17:21 2008

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