Literature summary for 3.4.22.B80 extracted from

Baez-Santos, Y.M.; Barraza, S.J.; Wilson, M.W.; Agius, M.P.; Mielech, A.M.; Davis, N.M.; Baker, S.C.; Larsen, S.D.; Mesecar, A.D.
X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases (2014), J. Med. Chem., 57, 2393-412 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
(R)-N-((2-methoxypyridin-4-yl)methyl)-1-(1-(naphthalen-1-yl)ethyl)piperidine-4-carboxamide	EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0095 mM	severe acute respiratory syndrome coronavirus
(R)-N-(3-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide	-	severe acute respiratory syndrome coronavirus
(R)-N-(3-acetamidobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide	shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0083 mM	severe acute respiratory syndrome coronavirus
(R)-N-(3-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide	shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0054 mM	severe acute respiratory syndrome coronavirus
(R)-N-(4-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide	-	severe acute respiratory syndrome coronavirus
(R)-N-(4-ethylbenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide	-	severe acute respiratory syndrome coronavirus
(R)-N-(4-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide	shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.00116 mM	severe acute respiratory syndrome coronavirus

Organism

Organism	UniProt	Comment	Textmining
severe acute respiratory syndrome coronavirus	-	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00015	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(3-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
0.00035	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-((2-methoxypyridin-4-yl)methyl)-1-(1-(naphthalen-1-yl)ethyl)piperidine-4-carboxamide
0.00039	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(3-acetamidobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
0.00047	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(4-ethylbenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
0.00049	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(4-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
0.0006	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(4-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide
0.00063	-	pH 7.5, 25°C	severe acute respiratory syndrome coronavirus	(R)-N-(3-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide

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Release 2023.1 (January 2023)