247188-27-8
247188-27-8
Chemical Structure
ZK-806450
- CAS No.: 247188-27-8
- Formula:C31H31N5O
- Molecular Weight:489.61
InChIKey: DZLGSWPXZYDHBD-UHFFFAOYSA-N
SMILES: N=C(C1=CC=C2C=CC(CN3C4=C(C5=CC=C(C=C53)OC6CCN(CC6)C(C)=N)C=CC=C4)=CC2=C1)N
Biological Activity: ZK-806450 is a compound with antiviral activity. ZK-806450 has a high binding potential to the allosteric binding site of the SARS-CoV-2 3CL protease. ZK-806450 can also specifically and stably bind to the GAG site of the dengue virus envelope protein[1][2].
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ZK-806450 | ZK-806450 is a compound with antiviral activity. ZK-806450 has a high binding potential to the allosteric binding site of the SARS-CoV-2 3CL protease. ZK-806450 can also specifically and stably bind to the GAG site of the dengue virus envelope protein. | |||||||||||||||||||||
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References
- [1]. Novak J, et al. Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking. J Biomol Struct Dyn. 2022;40(19):9347-9360. [Content Brief]
- [2]. Chaudhuri D, et al. Repurposing of drugs targeting heparan sulphate binding site of dengue virus envelope protein: an in silico competitive binding study. Mol Divers. 2025 Feb;29(1):87-101. [Content Brief]
