2no3

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[[Image:2no3.gif|left|200px]]<br /><applet load="2no3" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2no3.gif|left|200px]]
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caption="2no3, resolution 3.20&Aring;" />
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'''Novel 4-anilinopyrimidines as potent JNK1 Inhibitors'''<br />
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{{Structure
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|PDB= 2no3 |SIZE=350|CAPTION= <scene name='initialview01'>2no3</scene>, resolution 3.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=859:2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE'>859</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24]
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|GENE= MAPK8, JNK1, PRKM8 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Novel 4-anilinopyrimidines as potent JNK1 Inhibitors'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2NO3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=859:'>859</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2NO3 OCA].
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2NO3 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2NO3 OCA].
==Reference==
==Reference==
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Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies., Liu M, Wang S, Clampit JE, Gum RJ, Haasch DL, Rondinone CM, Trevillyan JM, Abad-Zapatero C, Fry EH, Sham HL, Liu G, Bioorg Med Chem Lett. 2007 Feb 1;17(3):668-72. Epub 2006 Nov 2. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17107797 17107797]
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Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies., Liu M, Wang S, Clampit JE, Gum RJ, Haasch DL, Rondinone CM, Trevillyan JM, Abad-Zapatero C, Fry EH, Sham HL, Liu G, Bioorg Med Chem Lett. 2007 Feb 1;17(3):668-72. Epub 2006 Nov 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17107797 17107797]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Mitogen-activated protein kinase]]
[[Category: Mitogen-activated protein kinase]]
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[[Category: 859]]
[[Category: 859]]
[[Category: SO4]]
[[Category: SO4]]
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[[Category: anilinopyrimidines jnk1 inhibitors]]
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[[Category: anilinopyrimidines jnk1 inhibitor]]
[[Category: c-jun n-terminal kinase]]
[[Category: c-jun n-terminal kinase]]
[[Category: jnk1]]
[[Category: jnk1]]
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[[Category: jnk1 inhibitors]]
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[[Category: jnk1 inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:09:06 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:48:52 2008''

Revision as of 15:48, 20 March 2008

Image:2no3.gif


PDB ID 2no3

Drag the structure with the mouse to rotate
, resolution 3.20Å
Ligands: and
Gene: MAPK8, JNK1, PRKM8 (Homo sapiens)
Activity: Mitogen-activated protein kinase, with EC number 2.7.11.24
Coordinates: save as pdb, mmCIF, xml



Novel 4-anilinopyrimidines as potent JNK1 Inhibitors


Contents

Overview

A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1 inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic activity as well as cellular potency represented by compound 2b. Kinase selectivity profile and the crystal structure of 2b are also described.

Disease

Known disease associated with this structure: Diabetes mellitus, noninsulin-dependent OMIM:[604641]

About this Structure

2NO3 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies., Liu M, Wang S, Clampit JE, Gum RJ, Haasch DL, Rondinone CM, Trevillyan JM, Abad-Zapatero C, Fry EH, Sham HL, Liu G, Bioorg Med Chem Lett. 2007 Feb 1;17(3):668-72. Epub 2006 Nov 2. PMID:17107797

Page seeded by OCA on Thu Mar 20 17:48:52 2008

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