2i1r: Difference between revisions
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|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=VXR:(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE'>VXR</scene> | |LIGAND= <scene name='pdbligand=VXR:(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE'>VXR</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY=[[2hwh|2HWH]], [[2hwi|2HWI]] | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2i1r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2i1r OCA], [http://www.ebi.ac.uk/pdbsum/2i1r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2i1r RCSB]</span> | |||
}} | }} | ||
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[[Category: Yan, S.]] | [[Category: Yan, S.]] | ||
[[Category: Yao, N.]] | [[Category: Yao, N.]] | ||
[[Category: allosteric inhibitor]] | [[Category: allosteric inhibitor]] | ||
[[Category: hcv]] | [[Category: hcv]] | ||
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[[Category: viral rna-directed rna polymerase]] | [[Category: viral rna-directed rna polymerase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:38:30 2008'' | ||
Revision as of 03:38, 31 March 2008
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| , resolution 2.2Å | |||||||
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| Ligands: | |||||||
| Activity: | RNA-directed RNA polymerase, with EC number 2.7.7.48 | ||||||
| Related: | 2HWH, 2HWI
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
OverviewOverview
Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.
About this StructureAbout this Structure
2I1R is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.
ReferenceReference
Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure., Yan S, Larson G, Wu JZ, Appleby T, Ding Y, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. Epub 2006 Oct 4. PMID:17049849
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