3sfc

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{{STRUCTURE_3sfc| PDB=3sfc | SCENE= }}
 
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===Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors===
 
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{{ABSTRACT_PUBMED_21840218}}
 
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==Disease==
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==Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors==
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[[http://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN]] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[http://omim.org/entry/267430 267430]]. RTD is an autosomal recessive severe disorder of renal tubular development characterized by persistent fetal anuria and perinatal death, probably due to pulmonary hypoplasia from early-onset oligohydramnios (the Potter phenotype).<ref>PMID:16116425</ref> Defects in REN are the cause of familial juvenile hyperuricemic nephropathy type 2 (HNFJ2) [MIM:[http://omim.org/entry/613092 613092]]. It is a renal disease characterized by juvenile onset of hyperuricemia, slowly progressive renal failure and anemia.<ref>PMID:19664745</ref>
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<StructureSection load='3sfc' size='340' side='right'caption='[[3sfc]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3sfc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SFC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SFC FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=S53:[7-BENZYL-2-(5-FLUORO-2-METHYLPHENOXY)-1-PHENYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL](PIPERAZIN-1-YL)METHANONE'>S53</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3sfc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sfc OCA], [https://pdbe.org/3sfc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sfc RCSB], [https://www.ebi.ac.uk/pdbsum/3sfc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sfc ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[https://omim.org/entry/267430 267430]. RTD is an autosomal recessive severe disorder of renal tubular development characterized by persistent fetal anuria and perinatal death, probably due to pulmonary hypoplasia from early-onset oligohydramnios (the Potter phenotype).<ref>PMID:16116425</ref> Defects in REN are the cause of familial juvenile hyperuricemic nephropathy type 2 (HNFJ2) [MIM:[https://omim.org/entry/613092 613092]. It is a renal disease characterized by juvenile onset of hyperuricemia, slowly progressive renal failure and anemia.<ref>PMID:19664745</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The control of hypertension and associated cardiovascular risk factors is possible by selective inhibition of the aspartyl protease renin due to its unique position in the renin-angiotensin system. Starting from a previously disclosed series of potent and nonchiral indole-3-carboxamides, we further explored this motif by structure-based drug design guided by X-ray crystallography in combination with efficient parallel synthesis. This resulted in the discovery of 4- or 6-azaindole derivatives with remarkable potency for renin inhibition. The best compound from these series showed an IC(50) value of 1.3nM.
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==Function==
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Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.,Scheiper B, Matter H, Steinhagen H, Bocskei Z, Fleury V, McCort G Bioorg Med Chem Lett. 2011 Sep 15;21(18):5480-6. Epub 2011 Jul 6. PMID:21840218<ref>PMID:21840218</ref>
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[[http://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN]] Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney.
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[3sfc]] is a 2 chain structure with 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=3SFC OCA].
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</div>
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<div class="pdbe-citations 3sfc" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
*[[Renin|Renin]]
*[[Renin|Renin]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:021840218</ref><ref group="xtra">PMID:020850300</ref><references group="xtra"/><references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Renin]]
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[[Category: Large Structures]]
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[[Category: Bocskei, Z.]]
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[[Category: Bocskei Z]]
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[[Category: Fleury, V.]]
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[[Category: Fleury V]]
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[[Category: Matter, H.]]
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[[Category: Matter H]]
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[[Category: McCort, G.]]
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[[Category: McCort G]]
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[[Category: Scheiper, B.]]
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[[Category: Scheiper B]]
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[[Category: Steinhagen, H]]
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[[Category: Steinhagen H]]
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[[Category: Aspartyl protease]]
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[[Category: Beta barrel]]
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[[Category: Extracellular space]]
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[[Category: Glycosylation]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Hypertension]]
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[[Category: Pepsin-like protease]]
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[[Category: Renin human]]
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[[Category: Renin inhibition]]
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Current revision

Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors

PDB ID 3sfc

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