58976-18-4
58976-18-4
Chemical Structure
SARS-CoV-2-IN-76
Synonym(s): S-Adenosyl-DL-homocysteine
- CAS No.: 58976-18-4
- Formula:C14H20N6O5S
- Molecular Weight:384.41
IUPAC Name: S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)homocysteine
InChIKey: ZJUKTBDSGOFHSH-ZRURSIFKSA-N
SMILES: O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1CSCCC(C(O)=O)N
Biological Activity: SARS-CoV-2-IN-76 (compound 1) is a nsp14-viral cap N7 methyltranferase and PLpro inhibitor of severe acute respiratory syndrome corona virus (SARS-CoV-2)[1].
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SARS-CoV-2-IN-76 | SARS-CoV-2-IN-76 (compound 1) is a nsp14-viral cap N7 methyltranferase and PLpro inhibitor of severe acute respiratory syndrome corona virus (SARS-CoV-2). | |||||||||||||||||||||
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References
- [1]. Srivastava R, et, al. In silico evaluation of S-adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies. J Biomol Struct Dyn. 2023 Dec 26:1-18. [Content Brief]
