2fs4: Difference between revisions
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New page: left|200px<br /> <applet load="2fs4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2fs4, resolution 2.2Å" /> '''Ketopiperazine-Based... |
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[[Image:2fs4.gif|left|200px]]<br /> | [[Image:2fs4.gif|left|200px]]<br /><applet load="2fs4" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2fs4" size=" | |||
caption="2fs4, resolution 2.2Å" /> | caption="2fs4, resolution 2.2Å" /> | ||
'''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== | ||
2FS4 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 PZ1 as [http://en.wikipedia.org/wiki/ligand ligand]. 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:// | 2FS4 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=PZ1:'>PZ1</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. 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=2FS4 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: C.]] | [[Category: C.]] | ||
[[Category: Caia, C.]] | [[Category: Caia, C.]] | ||
[[Category: Chenga, X | [[Category: Chenga, X M.]] | ||
[[Category: Codya, W | [[Category: Codya, W L.]] | ||
[[Category: Downinga, D | [[Category: Downinga, D M.]] | ||
[[Category: Edmundsa, J | [[Category: Edmundsa, J J.]] | ||
[[Category: Erasgaa, N.]] | [[Category: Erasgaa, N.]] | ||
[[Category: Hallc, E.]] | [[Category: Hallc, E.]] | ||
[[Category: Holsworth, D | [[Category: Holsworth, D D.]] | ||
[[Category: Jalaiea, M.]] | [[Category: Jalaiea, M.]] | ||
[[Category: Kasanic, A.]] | [[Category: Kasanic, A.]] | ||
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[[Category: Maitic, S.]] | [[Category: Maitic, S.]] | ||
[[Category: McConnella, P.]] | [[Category: McConnella, P.]] | ||
[[Category: Powella, N | [[Category: Powella, N A.]] | ||
[[Category: Rahimc, M.]] | [[Category: Rahimc, M.]] | ||
[[Category: Ryanb, M | [[Category: Ryanb, M J.]] | ||
[[Category: Stiera, M.]] | [[Category: Stiera, M.]] | ||
[[Category: Subedic, R.]] | [[Category: Subedic, R.]] | ||
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[[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 17:24:33 2008'' | ||
