PSCdb01560
PSCdb01560 is a Dengue virus NS5 RNA-dependent RNA polymerase (RdRp) inhibitor. PSCdb01560 binds stably to the conserved allosteric N-pocket of the polymerase, maintains persistent interactions with key residues Arg729 and Arg737, and induces polymerase structure stabilization. PSCdb01560 can be used for the research of dengue virus infection.
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- Fòrmula: C18H20O5
- Peso molecular:316.35
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Actividad biológica
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RNA Polymerase |
PSCdb01560 forms a thermodynamically stable, tightly bound complex with dengue virus NS5 RdRp (PDB: 5K5M), exhibiting superior dynamic stability, minimal conformational drift, and a more favourable post-MD MM-GBSA binding free energy (-91.65 ± 4.02 kcal/mol) than the reference inhibitor[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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Peso molecular 316.35
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Fòrmula C18H20O5
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SMILES
COC1=CC=C(C[C@H](O)C(C2=CC=C(OC)C=C2OC)=O)C=C1
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)