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Literature summary for 3.4.22.69 extracted from

  • Mathpal, S.; Joshi, T.; Sharma, P.; Pande, V.; Chandra, S.
    Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CLPro) of SARS-CoV-2 in silico study (2022), Struct. Chem., 2022, 1-17 .
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
(R)-(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(3-methylpyrrolidin-1-yl)ethoxy)phenyl)methanone binding energy -66.7 kJ/mol Severe acute respiratory syndrome coronavirus 2
2',4'-bis(benzyloxy)-3,5-dimethyl-4-hydroxy-trans-chalcone binding energy -87.9 kJ/mol Severe acute respiratory syndrome coronavirus 2
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide binding energy -59.6 kJ/mol Severe acute respiratory syndrome coronavirus 2
raloxifene binding energy -66.1 kJ/mol Severe acute respiratory syndrome coronavirus 2

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0DTD1 replicase polyprotein 1ab
-