2g1n: Difference between revisions
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New page: left|200px<br /> <applet load="2g1n" size="450" color="white" frame="true" align="right" spinBox="true" caption="2g1n, resolution 2.90Å" /> '''Ketopiperazine-base... |
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[[Image:2g1n.gif|left|200px]]<br /> | [[Image:2g1n.gif|left|200px]]<br /><applet load="2g1n" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2g1n" size=" | |||
caption="2g1n, resolution 2.90Å" /> | caption="2g1n, resolution 2.90Å" /> | ||
'''Ketopiperazine-based renin inhibitors: Optimization of the "C" ring'''<br /> | '''Ketopiperazine-based renin inhibitors: Optimization of the "C" ring'''<br /> | ||
==Overview== | ==Overview== | ||
A systematic investigation of the S3 sub-pocket activity requirements was | A systematic investigation of the S3 sub-pocket activity requirements was conducted. It was observed that linear and sterically small side chain substituents are preferred in the S3 sub-pocket for optimal renin inhibition. Polar groups in the S3-sub-pocket were not well tolerated and caused a reduction in renin inhibitory activity. Further, compounds with clog P's < or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity. | ||
==Disease== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
2G1N 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 NAG and 1IG as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] Full crystallographic information is available from [http:// | 2G1N 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=NAG:'>NAG</scene> and <scene name='pdbligand=1IG:'>1IG</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2G1N OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Renin]] | [[Category: Renin]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Holsworth, D | [[Category: Holsworth, D D.]] | ||
[[Category: 1IG]] | [[Category: 1IG]] | ||
[[Category: NAG]] | [[Category: NAG]] | ||
[[Category: protein-ligand complexes]] | [[Category: protein-ligand complexes]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:27:17 2008'' | ||
