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Literature summary for 3.4.22.66 extracted from

  • Kim, Y.; Lovell, S.; Tiew, K.C.; Mandadapu, S.R.; Alliston, K.R.; Battaile, K.P.; Groutas, W.C.; Chang, K.O.
    Broad-spectrum antivirals against 3C or 3C-like proteases of picornaviruses, noroviruses, and coronaviruses (2012), J. Virol., 86, 11754-11762.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.66

Application

Application Comment Organism
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Foot-and-mouth disease virus
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Transmissible gastroenteritis virus
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Hepatovirus A
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Severe acute respiratory syndrome-related coronavirus
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Norwalk virus
drug development the conserved key site of the enzyme may serve as attractive target for the design of broad-spectrum antivirals for multiple viruses in the supercluster Human calicivirus Hu/NLV/GII/MD145-12/1987/US

Crystallization (Commentary)

Crystallization (Comment) Organism
purified recombinant enzyme bound to inhibitor GC376, X-ray diffraction structure determination and analysis at 2.25 A resolution, molecular replacement Transmissible gastroenteritis virus
purified recombinant enzyme free and bound to inhibitor (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, X-ray diffraction structure determination and analysis at 1.50 and 1.65 A resolution, respectively, molecular replacement Norwalk virus

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Foot-and-mouth disease virus
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Hepatovirus A
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Norwalk virus
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
 Transmissible gastroenteritis virus
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Foot-and-mouth disease virus
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Hepatovirus A
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Human calicivirus Hu/NLV/GII/MD145-12/1987/US
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Norwalk virus
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Severe acute respiratory syndrome-related coronavirus
additional information efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview Transmissible gastroenteritis virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Foot-and-mouth disease virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Hepatovirus A
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Norwalk virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
 Transmissible gastroenteritis virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Foot-and-mouth disease virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Hepatovirus A
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Norwalk virus
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
 Transmissible gastroenteritis virus
rupintrivir
-
 Foot-and-mouth disease virus
rupintrivir
-
 Hepatovirus A
rupintrivir
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
rupintrivir
-
 Norwalk virus
rupintrivir
-
 Severe acute respiratory syndrome-related coronavirus
rupintrivir
-
 Transmissible gastroenteritis virus

Organism

Organism UniProt Comment Textmining
Foot-and-mouth disease virus
-
 FMDV
-
Hepatovirus A
-
 HAV
-
Human calicivirus Hu/NLV/GII/MD145-12/1987/US
-
 Noro virus strain MD145
-
Norwalk virus Q83883
-
-
Severe acute respiratory syndrome-related coronavirus
-
 SARS-CoV
-
Transmissible gastroenteritis virus P0C6V2 TGEV
-
Transmissible gastroenteritis virus Purdue P0C6V2 TGEV
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Dabcyl-APAKQLLN-Edans + H2O
-
 Foot-and-mouth disease virus Dabcyl-APAKQ + LLN-Edans
-
 ?
Dabcyl-GLRTQSFS-Edans + H2O
-
 Hepatovirus A Dabcyl-GLRTQ + SFS-Edans
-
 ?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
-
 Transmissible gastroenteritis virus Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
 ?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
-
 Severe acute respiratory syndrome-related coronavirus Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
 ?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
-
 Transmissible gastroenteritis virus Purdue Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
 ?
Edans-DFHLQGP-Dabcyl + H2O
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US Edans-DFHLQ + GP-Dabcyl
-
 ?
Edans-DFHLQGP-Dabcyl + H2O truncated substrate Norwalk virus Edans-DFHLQ + GP-Dabcyl
-
 ?

Synonyms

Synonyms Comment Organism
3C protease
-
 Foot-and-mouth disease virus
3C protease
-
 Hepatovirus A
3C protease
-
 Severe acute respiratory syndrome-related coronavirus
3C protease
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
3C-like protease
-
 Foot-and-mouth disease virus
3C-like protease
-
 Transmissible gastroenteritis virus
3C-like protease
-
 Hepatovirus A
3C-like protease
-
 Severe acute respiratory syndrome-related coronavirus
3C-like protease
-
 Norwalk virus
3C-like protease
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
3cLpro
-
 Foot-and-mouth disease virus
3cLpro
-
 Transmissible gastroenteritis virus
3cLpro
-
 Hepatovirus A
3cLpro
-
 Severe acute respiratory syndrome-related coronavirus
3cLpro
-
 Norwalk virus
3cLpro
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US
3Cpro
-
 Foot-and-mouth disease virus
3Cpro
-
 Hepatovirus A
3Cpro
-
 Severe acute respiratory syndrome-related coronavirus
3Cpro
-
 Human calicivirus Hu/NLV/GII/MD145-12/1987/US

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Foot-and-mouth disease virus
37
-
 assay at Transmissible gastroenteritis virus
37
-
 assay at Hepatovirus A
37
-
 assay at Severe acute respiratory syndrome-related coronavirus
37
-
 assay at Norwalk virus
37
-
 assay at Human calicivirus Hu/NLV/GII/MD145-12/1987/US

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
6
-
 assay at Transmissible gastroenteritis virus
6
-
 assay at Severe acute respiratory syndrome-related coronavirus
7
-
 assay at Hepatovirus A
8
-
 assay at Foot-and-mouth disease virus
8
-
 assay at Norwalk virus
8
-
 assay at Human calicivirus Hu/NLV/GII/MD145-12/1987/US

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00049
-
 pH 8.0, 37°C, recombinant enzyme Norwalk virus (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.00055
-
 pH 8.0, 37°C, recombinant enzyme Foot-and-mouth disease virus N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.00061
-
 pH 8.0, 37°C, recombinant enzyme Foot-and-mouth disease virus N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.00064
-
 pH 8.0, 37°C, recombinant enzyme Norwalk virus N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.0007
-
 pH 8.0, 37°C, recombinant enzyme Human calicivirus Hu/NLV/GII/MD145-12/1987/US rupintrivir
0.00082
-
 pH 6.0, 37°C, recombinant enzyme Transmissible gastroenteritis virus (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.00083
-
 pH 8.0, 37°C, recombinant enzyme Norwalk virus rupintrivir
0.00096
-
 pH 8.0, 37°C, recombinant enzyme Human calicivirus Hu/NLV/GII/MD145-12/1987/US (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.00099
-
 pH 6.0, 37°C, recombinant enzyme Transmissible gastroenteritis virus N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.00116
-
 pH 8.0, 37°C, recombinant enzyme Foot-and-mouth disease virus (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.00118
-
 pH 8.0, 37°C, recombinant enzyme Human calicivirus Hu/NLV/GII/MD145-12/1987/US N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.00155
-
 pH 6.0, 37°C, recombinant enzyme Transmissible gastroenteritis virus N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.00287
-
 pH 8.0, 37°C, recombinant enzyme Norwalk virus N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.00348
-
 pH 6.0, 37°C, recombinant enzyme Severe acute respiratory syndrome-related coronavirus N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.00402
-
 pH 8.0, 37°C, recombinant enzyme Human calicivirus Hu/NLV/GII/MD145-12/1987/US N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.00421
-
 pH 8.0, 37°C, recombinant enzyme Foot-and-mouth disease virus rupintrivir
0.00435
-
 pH 6.0, 37°C, recombinant enzyme Severe acute respiratory syndrome-related coronavirus (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.00466
-
 pH 6.0, 37°C, recombinant enzyme Severe acute respiratory syndrome-related coronavirus N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.0426
-
 pH 8.0, 37°C, recombinant enzyme Hepatovirus A N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
0.05
-
 above, pH 8.0, 37°C, recombinant enzyme Hepatovirus A rupintrivir
0.05
-
 above, pH 8.0, 37°C, recombinant enzyme Hepatovirus A N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
0.05
-
 above, pH 8.0, 37°C, recombinant enzyme Hepatovirus A (2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
0.05
-
 above, pH 6.0, 37°C, recombinant enzyme Transmissible gastroenteritis virus rupintrivir
0.05
-
 above, pH 6.0, 37°C, recombinant enzyme Severe acute respiratory syndrome-related coronavirus rupintrivir