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Literature summary for 3.4.22.69 extracted from

  • Ramajayam, R.; Tan, K.P.; Liu, H.G.; Liang, P.H.
    Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease (2010), Bioorg. Med. Chem. Lett., 20, 3569-3572.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2-(benzylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-chlorophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-methylphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(4-methylphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome-related coronavirus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS + H2O
-
Severe acute respiratory syndrome-related coronavirus DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS
-
?

Synonyms

Synonyms Comment Organism
SARS-CoV 3CL protease
-
Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 4-(4-methylphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 2-(benzylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
additional information
-
IC50 above 0.05 mM Severe acute respiratory syndrome-related coronavirus 4-(4-methylphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
0.0061
-
-
Severe acute respiratory syndrome-related coronavirus 4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
0.0106
-
-
Severe acute respiratory syndrome-related coronavirus 2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
0.0169
-
-
Severe acute respiratory syndrome-related coronavirus 4-(4-chlorophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
0.0203
-
-
Severe acute respiratory syndrome-related coronavirus 4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
0.0263
-
-
Severe acute respiratory syndrome-related coronavirus 4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
0.0353
-
-
Severe acute respiratory syndrome-related coronavirus 2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile