Information on EC 3.4.22.69 - SARS coronavirus main proteinase

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The expected taxonomic range for this enzyme is: Coronavirinae

SplaateEC_Number,Commentary
EC NUMBER
COMMENTARY
3.4.22.69
-
SplaateRecommended_Name,GO_Number
RECOMMENDED NAME
GeneOntology No.
SARS coronavirus main proteinase
-
SplaateReaction,Reaction_id,Commentary,IF(Commentary != '',Organism,'') ,IF(Commentary != '',Literature,'')
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
TSAVLQ-/-SGFRK-NH2 and SGVTFQ-/-!GKFKK the two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive peptide substrates. The enzyme exhibits a strong preference for substrates containing Gln at P1 position and Leu at P2 position.
show the reaction diagram
-
-
-
-
SplaateReaction_Type,Organism,Commentary,Literature
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
-
-
-
-
SplaatePathway,BRENDA_Link,KEGG_Link,MetaCyc_Link,Source_Database
SplaateSystematic_Name,Commentary_IUBMB
SplaateSynonyms,Organism,Commentary,Literature
SYNONYMS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
3C-like protease
-
3CL protease
-
3cLpro
-
-
-
-
C30.004
-
-
-
-
chymotrypsin-like protease
-
coronavirus 3C-like protease
-
-
coronavirus M(pro)
-
-
coronavirus main protease
-
-
main protease
-
-
Mpro
-
-
-
-
porcine transmissible gastroenteritis virus Mpro
-
-
-
-
SARS 3C-like protease
-
-
SARS 3C-like proteinase
-
-
SARS 3CL protease
-
-
SARS 3CL protease
-
SARS 3CLpro
-
-
SARS coronavirus 3C-like protease
-
-
SARS coronavirus 3C-like proteinase
-
-
SARS coronavirus 3CL protease
-
-
SARS coronavirus main peptidase
-
-
SARS coronavirus main protease
-
-
SARS coronavirus main protease
-
SARS coronavirus main proteinase
-
-
SARS coronavirus Mpro
-
SARS CoV main proteinase
-
-
SARS CoVMpro
-
-
SARS main protease
-
-
SARS Mpro
-
-
SARS-3CL protease
-
-
SARS-3CLpro
-
-
SARS-coronavirus 3CL protease
-
-
SARS-coronavirus main protease
-
-
SARS-CoV 3C-like peptidase
-
-
SARS-CoV 3C-like protease
-
-
SARS-CoV 3CL peptidase
-
-
SARS-CoV 3CLpro enzyme
-
-
SARS-CoV 3CLpro protease
-
-
SARS-CoV main protease
-
-
SARS-CoV Mpro
-
-
SARS-CoV Mpro
-
SARSCoV main protease
-
SARSCoV Mpro
-
severe acute respiratory syndrome coronavirus 3C-like protease
-
-
severe acute respiratory syndrome coronavirus 3CLpro
-
-
severe acute respiratory syndrome coronavirus main protease
-
-
severe acute respiratory syndrome coronavirus main protease
-
severe acute respiratory syndrome coronavirus main proteinase
-
-
severe acute respiratory syndrome coronavirus Mpro
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TGEV Mpro
-
-
-
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SplaateCAS_Registry_Number,Commentary
CAS REGISTRY NUMBER
COMMENTARY
218925-73-6
-
37353-41-6
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SplaateOrganism, Commentary,Literature, Sequence_Code,Sequence_db,Textmining
SplaateGeneral_Information, Organism, Commentary, Literature
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
-
the enzyme is required for viral polyprotein processing
physiological function
-
3CLpro is required for viral replication
physiological function
3CLpro is vital for SARS-coronavirus replication
physiological function
-
the activity of the enzyme toward specific viral protein substrates is required for efficient viral replication
additional information
the functional unit of Mpro is a homodimer and each subunit contains a His41-Cys145 catalytic dyad. Presence of a complete substrate-binding pocket and oxyanion hole in both protomers. Reversible substrate-induced dimerization is essential for catalysis, molecular mechanism, overview
additional information
-
substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the enzyme, overview
additional information
-
autoprocessing mechanism of the enzyme
SplaateSubstrates,Products,id,Organism_Substrates,Commentary_Substrates, Literature_Substrates, Commentary_Products, Literature_Products,Reversibility
SUBSTRATE
PRODUCT                      
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
(Ala-Arg-Leu-Gln-NH)2-rhodamine
rhodamine 110 + (Ala-Arg-Leu-Gln-NH)-rhodamine
show the reaction diagram
-
-
-
?
(CAL fluor red 610)-TSAVLQSGFRK(BHQ1) + H2O
(CAL fluor red 610)-TSAVLQ + SGFRK(BHQ1)
show the reaction diagram
-
-
-
?
2-aminobenzoyl-SVTLQSG-Tyr(NO2)Arg + H2O
?
show the reaction diagram
-
-
-
-
?
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide + H2O
2-aminobenzoyl-TSAVLQ + SGFRK-2,4-dinitrophenyl amide
show the reaction diagram
-
-
-
?
AAVLQSGF-NH2 + H2O
AAVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
Abz-LQSGFRK(Dnp)NH2 + H2O
Abz-LQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-LYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-QTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-QTSITSAVLQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-SAVLQSGFRK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRKMAFPSGK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-SAVLQSGFRKMAK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRKMAK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-SAVLQSGK(Dnp)NH2 + H2O
Abz-SAVLQ + SGK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-SGADVLYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
Abz-VLQSGFRK(Dnp)NH2 + H2O
Abz-VLQ + SGFRK(Dnp)NH2
show the reaction diagram
-
-
-
?
acetyl-TSAVLH-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSAVLH + 7-amino-4-carbamoyl-coumarin
show the reaction diagram
-
SARS-CoV 3Clpro prefers Gln over His in P1 position. Unlike SARS-CoV 3Clpro, His is strongly preferred in the P1 position by 3C-like proteases from infectious bronchitis virus murine hepatitis virus
-
?
acetyl-TSTKLQ-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSTKLQ + 7-amino-4-carbamoyl-coumarin
show the reaction diagram
-
optimized fluorogenic peptide substrate. The enzyme exhibits a strong preference for P1 Gln containing substrates and P2 Leu containing substrates
-
?
ATVRLQAGNAT + H2O
ATVRLQ + AGNAT
show the reaction diagram
-
-
-
?
ATVRLQAGNAT + H2O
ATVRLQ + AGNAT
show the reaction diagram
-
-
-
?
AVLQS-NH2 + H2O
AVLQ + L-serinamide
show the reaction diagram
-
-
-
?
AVLQSE-NH2 + H2O
AVLQ + Ser-Glu-NH2
show the reaction diagram
-
-
-
?
AVLQSGF-NH2 + H2O
AVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
coronavirus polyprotein + H2O
?
show the reaction diagram
-
3CLpro processes the translated polyproteins to functional viral proteins
-
-
?
cyan fluorescent protein-TSAVLQSGFRKM-yellow fluorescent protein + H2O
cyan fluorescent protein-TSAVLQ + SGFRKM-yellow fluorescent protein
show the reaction diagram
-
-
-
?
Dabcyl-KNSTLQSGLRKE-EDANS + H2O
Dabcyl-KNSTLQ + SGLRKE-EDANS
show the reaction diagram
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
dabcyl-KTSAVLQSGFRKME-EDANS + H2O
?
show the reaction diagram
-
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide
show the reaction diagram
-
-
?
Dabcyl-KTSAVLQSGFRKMQ-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKMQ-EDANS
show the reaction diagram
-
-
-
?
DABCYL-Lys-Asn-Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-Glu-EDANS + H2O
DABCYL-Lys-Asn-Ser-Thr-Leu-Gln + Ser-Gly-Leu-Arg-Lys-Glu-EDANS
show the reaction diagram
-
-
-
?
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS + H2O
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS
show the reaction diagram
-
-
-
?
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS + H2O
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS
show the reaction diagram
-
-
-
?
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS + H2O
DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS
show the reaction diagram
-
-
-
?
EDANS-VNSTLQSGLRK-(Dabcyl)-M + H2O
EDANS-VNSTLQ + SGLRK-(Dabcyl)-M
show the reaction diagram
-
-
-
?
FAVLQSGF + H2O
FAVLQ + SGF
show the reaction diagram
-
-
-
?
FVRLQSGF + H2O
FVRLQ + SGF
show the reaction diagram
-
-
-
?
FVVLQSGF + H2O
FVVLQ + SGF
show the reaction diagram
-
-
-
?
FYPKLQASQAW + H2O
FYPKLQ + ASQAW
show the reaction diagram
-
-
-
?
FYPKLQASQAW + H2O
FYPKLQ + ASQAW
show the reaction diagram
-
-
-
?
GPFVDRQTAQAAGTDT-NH2 + H2O
?
show the reaction diagram
-
1% of the activity with TSAVLQSGFRK-NH2
-
-
?
H-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
H-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-NH2
show the reaction diagram
-
-
-
?
KVATVQSKMSD + H2O
KVATVQ + SKMSD
show the reaction diagram
-
-
-
?
KVATVQSKMSD + H2O
KVATVQ + SKMSD
show the reaction diagram
-
weak activity
-
?
KVATVQSKMSD-NH2
?
show the reaction diagram
-
undecapeptide containing the non-canonical P3/P4 cleavage site of 3CL protease, 6% of the activity with TSAVLQSGFRK-NH2
-
-
-
L-Thr-L-Ser-L-Ala-L-Val-L-Leu-L-Gln-4-nitroanilide + H2O
L-Thr-L-Ser-L-Ala-L-Val-L-Leu-L-Gln + 4-nitroaniline
show the reaction diagram
-
-
-
?
LAVLQSGF-NH2 + H2O
LAVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
LQSG-NH2 + H2O
Leu-Gln + Ser-Gly-NH2
show the reaction diagram
-
-
-
?
NRATLQAIASE + H2O
NRATLQ + AIASE
show the reaction diagram
-
-
-
?
NRATLQAIASE + H2O
NRATLQ + AIASE
show the reaction diagram
-
weak activity
-
?
NVATLQAENVT + H2O
NVATLQ + AENVT
show the reaction diagram
-
-
-
?
NVATLQAENVT + H2O
NVATLQ + AENVT
show the reaction diagram
-
weak activity
-
?
o-aminobenzoyl-TSAVLQSGFRY(3-NO2)G + H2O
o-aminobenzoyl-TSAVLQ + SGFRY(3-NO2)G
show the reaction diagram
-
-
-
?
PATVLQAVGAC + H2O
PATVLQ + AVGAC
show the reaction diagram
-
-
-
?
PHTVLQAVGAC + H2O
PHTVLQ + AVGAC
show the reaction diagram
-
-
-
?
pp1a + H2O
?
show the reaction diagram
cleavage of a viron polyprotein
-
-
?
pp1ab + H2O
?
show the reaction diagram
cleavage of a viron polyprotein
-
-
?
REPLMQSADAS + H2O
REPLMQ + SADAS
show the reaction diagram
-
-
-
?
REPLMQSADAS + H2O
REPLMQ + SADAS
show the reaction diagram
-
weak activity
-
?
SAALQSGF-NH2 + H2O
SAALQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAKLQSGF-NH2 + H2O
SAKLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SALLQSGF-NH2 + H2O
SALLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SATLQSGF-NH2 + H2O
SATLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVAQSGF-NH2 + H2O
SAVAQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVFQSGF-NH2 + H2O
SAVMQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVIQSGF-NH2 + H2O
SAVIQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVKLQNNELS + H2O
SAVKLQ + NNELS
show the reaction diagram
-
-
-
?
SAVKLQNNELS + H2O
SAVKLQ + NNELS
show the reaction diagram
-
weak activity
-
?
SAVLESGF-NH2 + H2O
SAVLE + SGF-NH2
show the reaction diagram
-
-
-
?
SAVLKSGF-NH2 + H2O
SAVLK + SGF-NH2
show the reaction diagram
-
-
-
?
SAVLNSGF-NH2 + H2O
SAVLN + SGF-NH
show the reaction diagram
-
-
-
?
SAVLQAGF-NH2 + H2O
SAVLQ + AGF-NH2
show the reaction diagram
-
-
-
?
SAVLQEGFRK + H2O
SAVLQ + EGFRK
show the reaction diagram
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
?
SAVLQFGFRK + H2O
SAVLQ + FGFRK
show the reaction diagram
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
?
SAVLQGGF-NH2 + H2O
SAVLQ + GGF-NH2
show the reaction diagram
-
-
-
?
SAVLQGGFRK + H2O
SAVLQ + GGFRK
show the reaction diagram
-
the cleavage rate of the mutant enzyme T25G is similar to the wild type enzyme
-
?
SAVLQHGFRK + H2O
SAVLQ + HGFRK
show the reaction diagram
-
low activity
-
?
SAVLQKGFRK + H2O
SAVLQ + KGFRK
show the reaction diagram
-
low activity
-
?
SAVLQLGF-NH2 + H2O
SAVLQ + LGF-NH2
show the reaction diagram
-
-
-
?
SAVLQLGFRK + H2O
SAVLQ + LGFRK
show the reaction diagram
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
?
SAVLQMGFRK + H2O
SAVLQ + MGFRK
show the reaction diagram
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
?
SAVLQSGF-NH2 + H2O
SAVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVLQSGFRK + H2O
SAVLQ + SGFRK
show the reaction diagram
-
-
-
?
SAVLQSGFRK + H2O
SAVLQ + SGFRK
show the reaction diagram
-
best substrate for both, wild type and mutant enzyme T25G
-
?
SAVLQWGFRK + H2O
SAVLQ + WGFRK
show the reaction diagram
-
low activity
-
?
SAVMQSGF-NH2 + H2O
SAVMQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVRQSGF-NH2 + H2O
SAVRQ + SGF-NH2
show the reaction diagram
-
-
-
?
SAVVQSGF-NH2 + H2O
SAVVQ + SGF-NH2
show the reaction diagram
-
-
-
?
Ser-Ala-Val-Leu-Gln-Leu-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Leu-Gly-Phe-Arg-Lys
show the reaction diagram
-
substrate for T25G mutant protein
-
?
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Met-Gly-Phe-Arg-Lys
show the reaction diagram
-
-
-
?
Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys
show the reaction diagram
-
-
-
?
SGVTFQGKFKK + H2O
SGVTFQ + GKFKK
show the reaction diagram
-
-
-
?
SGVTFQGKFKK + H2O
SGVTFQ + GKFKK
show the reaction diagram
-
highest cleavage efficiency. The two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive ones
-
?
SITSAVLQ-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
SITSAVLQ-p-nitrophenyl ester + H2O
?
show the reaction diagram
-
-
-
-
?
SITSAVLQSGFRKMA + H2O
?
show the reaction diagram
-
-
-
-
?
SLVLQSGF-NH2 + H2O
SLVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
STVLQSGF-NH2 + H2O
STVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SVVLQSGF-NH2 + H2O
SVVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
SWTSAVAQSGFRKWA + H2O
SWTSAVAQ + SGFRKWA
show the reaction diagram
less than 10% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVCQSGFRKWA + H2O
SWTSAVCQ + SGFRKWA
show the reaction diagram
less than 1% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVFQSGFRKWA + H2O
SWTSAVFQ + SGFRKWA
show the reaction diagram
about 70% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVHQSGFRKWA + H2O
SWTSAVHQ + SGFRKWA
show the reaction diagram
less than 5% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVIQSGFRKWA + H2O
SWTSAVIQ + SGFRKWA
show the reaction diagram
about 45% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVLQSGFRKWA + H2O
?
show the reaction diagram
-
-
-
-
?
SWTSAVLQSGFRKWA + H2O
SWTSAVLQ + SGFRKWA
show the reaction diagram
100% activity
-
?
SWTSAVMQSGFRKWA + H2O
SWTSAVMQ + SGFRKWA
show the reaction diagram
about 58% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVNQSGFRKWA + H2O
SWTSAVNQ + SGFRKWA
show the reaction diagram
less than 1% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVPQSGFRKWA + H2O
SWTSAVPQ + SGFRKWA
show the reaction diagram
about 10% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVQQSGFRKWA + H2O
SWTSAVQQ + SGFRKWA
show the reaction diagram
less than 5% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVSQSGFRKWA + H2O
SWTSAVSQ + SGFRKWA
show the reaction diagram
less than 1% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVTQSGFRKWA + H2O
SWTSAVTQ + SGFRKWA
show the reaction diagram
less than 5% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVVQSGFRKWA + H2O
SWTSAVVQ + SGFRKWA
show the reaction diagram
about 55% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVWQSGFRKWA + H2O
SWTSAVWQ + SGFRKWA
show the reaction diagram
less than 5% activity compared to SWTSAVLQSGFRKWA
-
?
SWTSAVYQSGFRKWA + H2O
SWTSAVYQ + SGFRKWA
show the reaction diagram
less than 5% activity compared to SWTSAVLQSGFRKWA
-
?
TAVLQSGF + H2O
TAVLQ + SGF
show the reaction diagram
-
lowest activity
-
?
TAVLQSGF-NH2 + H2O
TAVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
TFTRLQSLENV + H2O
TFTRLQ + SLENV
show the reaction diagram
-
-
-
?
TFTRLQSLENV + H2O
TFTRLQ + SLENV
show the reaction diagram
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + p-nitroaniline
show the reaction diagram
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + p-nitroaniline
show the reaction diagram
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + p-nitroaniline
show the reaction diagram
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-NH2
show the reaction diagram
-
-
-
?
TSAVLQ-4-nitroanilide + H2O
TSAVLQ + 4-nitroaniline
show the reaction diagram
-
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
show the reaction diagram
-
-
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
show the reaction diagram
-
highest cleavage efficiency. The two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive ones
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
show the reaction diagram
-
peptide containing the P1/P2 cleavage site, the N-terminal self-cleavage site of the protease, most suitable substrate
-
?
TVILQAGF + H2O
TVILQ + Ala-Gly-Phe
show the reaction diagram
-
-
-
?
TVKLQAGF + H2O
TVKLQ + Ala-Gly-Phe
show the reaction diagram
-
-
-
?
TVKLQAGF-NH2 + H2O
TVKLQ + AGF-NH2
show the reaction diagram
-
-
-
?
TVRLQAGF + H2O
TVRLQ + Ala-Gly-Phe
show the reaction diagram
-
-
-
?
TVRLQSGF + H2O
TVRLQ + SGF
show the reaction diagram
-
highest activity
-
?
TVTLQSGF-NH2 + H2O
TVTLQ + SGF-NH2
show the reaction diagram
-
-
-
?
TVVLQSGF + H2O
TVVLQ + SGF
show the reaction diagram
-
-
-
?
TVVLQSGF-NH2 + H2O
TVVLQ + SGF-NH2
show the reaction diagram
-
-
-
?
VAVLQSGF + H2O
VAVLQ + SGF
show the reaction diagram
-
-
-
?
VLQS-NH2 + H2O
VLQ + L-serinamide
show the reaction diagram
-
-
-
?
VLQSG-NH2 + H2O
VLQ + Ser-Gly-NH2
show the reaction diagram
-
-
-
?
VVRLQSGF + H2O
VVRLQ + SGF
show the reaction diagram
-
-
-
?
VVTLQSGF-NH2 + H2O
VVTLQ + SGF-NH2
show the reaction diagram
-
-
-
?
VVVLQSGF + H2O
VVVLQ + SGF
show the reaction diagram
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
show the reaction diagram
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGF RKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
show the reaction diagram
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
show the reaction diagram
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-VNSTLQSGLRK-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]-M + H2O
?
show the reaction diagram
-
-
-
-
?
MCAAVLQSGFR-Lys(Dnp)-Lys-NH2 + H2O
MCAAVLQ + Ser-Gly-Phe-Arg-Lys(Dnp)-Lys-NH2
show the reaction diagram
-
-
-
?
additional information
?
-
-
a 3CLpro mechanism utilizes an electrostatic trigger to initiate the acylation reaction, a cysteine-histidine catalytic dyad ion pair, an enzyme-facilitated release of P1, and a general base catalyzed deacylation reaction
-
-
-
additional information
?
-
-
complete description of the tetrapeptide substrate specificity of 3Clpro using fully degenerate peptide libraries consisting of all 160 000 possible naturally occurring tetrapeptides. P1-Gln P2-Leu specificity and elucidate a novel preference for P1-His containing substrates equal to the expected preference for P1-Gln
-
-
-
additional information
?
-
-
SARS-CoV 3CLpro mediates extensive proteolytic processing of two overlapping replicase polyproteins, pp1a (486000 Da) and pp1ab (790000 Da), to yield the corresponding functional polypeptides that are essential for SARSCoV replication and transcription processes
-
-
-
additional information
?
-
-
the genomic RNA produces two large proteins with overlapping sequences, polyproteins 1a and 1ab, which are autocatalytically cleaved by two or three viral proteases to yield functional polypeptides. The key enzyme in this processing is SARS 3CL protease
-
-
-
additional information
?
-
-
a complete description of the tetrapeptide substrate specificity of 3Clpro using fully degenerate peptide libraries consisting of all 160000 possible naturally occurring tetrapeptides. The enzyme exhibits a strong preference for P1 Gln containing substrates and P2 Leu containing substrates. The enzyme also shows a strong preference for P1 histidine containing substrates. 3Clpro has extended substrate specificity at P5 and P6 preferring hydrophobic amino acids such as Leu
-
-
-
additional information
?
-
-
comprehensive overview of SARS-CoV 3CLpro substrate specificity. The hydrophobic pocket in the P2 position at the protease cleavage site is crucial to SARS-CoV 3CLpro-specific binding, which is limited to substitution by hydrophobic residue. The binding interface of SARS-CoV 3CLpro that is facing the P1' position is suggested to be occupied by acidic amino acids, thus the P1' position is intolerant to acidic residue substitution, owing to electrostatic repulsion. Steric hindrance caused by some bulky or branching amino acids in P3 and P2' positions may also hinder the binding of SARS-CoV 3CLpro. In addition to the conserved Gln residue in the P1 position at the SARS-CoV 3CLpro cleavage site, the P2 position, which is exclusively occupied by Leu residue, also serves as another important determinant of substrate specificity. Peptide substrate with Phe replacement in the P2 position is also favorable for SARSCoV 3CLpro cleavage. Ile is intolerant in the P2 position. P1' position, which is frequently occupied by Ser residue, also contributes to the substrate specificity of SARS-CoV 3CLpro considerably. The P1' position is highly unfavorable to the substitution by Pro, Asp, and Glu residues. The substrate specificity of SARS-CoV 3CLpro is less dependent on the P2' and P3 positions at the cleavage site. The peptide cleavage results show that the P3' and P4 positions have no effect on determining the substrate specificity preferences of SARS-CoV 3CLpro
-
-
-
additional information
?
-
-
cuts the 11 peptides covering all of the 11 cleavage sites on the viral polyprotein with different efficiency
-
-
-
additional information
?
-
-
the S3 subsite of the SARS CoVMpro has a negative character. The electrostatic interactions between Glu47 and P3Lys play a key role in specific binding. These observations are very important and provide further information for structural-based drug design against SARS virus
-
-
-
additional information
?
-
-
3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences, no cleavage of SAVLQPGFRK
-
-
-
additional information
?
-
no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA, the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position
-
-
-
additional information
?
-
-
the enzyme performs autoprocessing, overview. As 3CLpro requires a glutamine residue at the P1 position of the substrate
-
-
-
additional information
?
-
-
the enzyme shows a substrate-induced catalytic mechanism that further enhances its substrate specificity, overview
-
-
-
SplaateNatural_Substrates,Natural_Products,id,Organism_Substrates,Commentary_Substrates,Literature_Substrates,Commentary_Products,Literature_Products,Reversibility
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
coronavirus polyprotein + H2O
?
show the reaction diagram
-
3CLpro processes the translated polyproteins to functional viral proteins
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
show the reaction diagram
-
-
-
?
additional information
?
-
-
SARS-CoV 3CLpro mediates extensive proteolytic processing of two overlapping replicase polyproteins, pp1a (486000 Da) and pp1ab (790000 Da), to yield the corresponding functional polypeptides that are essential for SARSCoV replication and transcription processes
-
-
-
additional information
?
-
-
the genomic RNA produces two large proteins with overlapping sequences, polyproteins 1a and 1ab, which are autocatalytically cleaved by two or three viral proteases to yield functional polypeptides. The key enzyme in this processing is SARS 3CL protease
-
-
-
additional information
?
-
-
3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences
-
-
-
SplaateCofactor,Organism,Commentary,Literature,Filename
SplaateMetals_Ions,Organism,Commentary, Literature
SplaateInhibitors, Organism, Commentary, Literature,Filename
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(2E)-N-[2-[4-(dimethylamino)butyl]phenyl]-3-phenylprop-2-enamide
-
-
(5S,8S,11S,E)-methyl 8-isobutyl-5-isopropyl-3,6,9-trioxo-11-(((S)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazatetradec-12-en-14-oate
-
-
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methyl-N-((S)-4-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)pentanamide
-
-
(S)-N-((S)-1-(((S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl)amino)-3-cyclohexyl-1-oxopropan-2-yl)-2-((S)-2-((S)-2-acetamido-3-hydroxypropanamido)propanamido)-3-methylbutanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(3,4-dimethoxyphenyl)acrylamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(4-methoxyphenyl)acrylamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((S)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-3-methylbutanamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((2-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((3-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((4-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-hydroxyphenoxy)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(3-(4-methoxyphenyl)propanamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-cinnamamido-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-((S)-3-methyl-2-(2-phenoxyacetamido)butanamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenoxyacetamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenylacetamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-(pyridin-3-yl)propanamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-methylbutanamido)pentanamide
-
-
(S)-N-((S)-1-(bnzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenoxy)acetamido)-4-methylpentanamide
-
-
1,1'-sulfonylbis(4-nitrobenzene)
-
-
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
-
-
1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
-
-
1-(2-naphthylmethyl)isatin-5-carboxamide
-
-
1-(naphthalen-2-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxamide
-
-
1-butyl-N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1H-benzimidazol-2-amine
-
-
1-hydroxypyridine-2-thione zinc
-
-
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-benzotriazole
-
-
1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
-
-
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1,5-dihydro-2H-pyrrol-2-one
-
competitive inhibitor, 61.36% inhibition at 0.1 mM
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
-
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
2',5'-dimethyl-3-(methylthio)-4'-nitro-5-(2-thienyl)-2'H-1,3'-bipyrazole-4-carbonitrile
-
-
2,2-difluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone
-
0.1 mM, 38% inhibition
2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
-
-
2,5-bis[[(benzyloxy)carbonyl]amino]-1,2,5,6-tetradeoxy-1,6-di-1H-indol-3-yl-L-iditol
-
-
2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone
-
-
2-(1H-benzotriazol-1-yl)-N-(biphenyl-4-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-N-[4-[(methylsulfonyl)amino]phenyl]acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-4-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(3',4'-dihydroxyphenyl)-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 30.1% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-arabinosyl-4H-chromen-4-one
-
0.05 mM, 49.4% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 41.8% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-glucosyl-4H-chromen-4-one
-
0.05 mM, 57.5% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-L-fucosyl-4H-chromen-4-one
-
0.05 mM, 57.4% inhibition
2-(3',4'-dihydroxyphenyl)-5-hydroxy-3,7-di(beta-D-galactosyl)-4H-chromen-4-one
-
0.05 mM, 53.0% inhibition
2-(3-chlorophenyl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 13% inhibition
2-(3-chlorophenyl)-2-fluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 15% inhibition
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
-
-
2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
-
-
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
-
-
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
-
-
2-(5-bromopyridin-3-yl)-1-[5-(4-chlorophenyl)furan-2-yl]ethanone
-
-
2-(5-bromopyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 21% inhibition
2-(5-chloropyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 27% inhibition
2-(5-chloropyridin-3-yl)-2-fluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 14% inhibition
2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-([N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl]amino)-5-[[(2S,5S)-5-[[(benzyloxy)carbonyl]amino]-2-(1-methylethyl)-4-oxohexanoyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2-acetyl-3-(3-iodophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
-
-
2-benzyl-2H-isoindole-4,7-dione
-
-
2-fluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone
-
0.1 mM, 10% inhibition
2-methylpropyl (4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)carbamate
-
-
2-methylpropyl [4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]carbamate
-
-
2-phenyl-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 18.7% inhibition
2-phenylethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
-
-
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
2-[(2-acetylphenyl)sulfonyl]benzoic acid
-
-
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
-
0.01 mM, 30% inhibition
2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
-
-
2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
-
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
-
-
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
-
-
3-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-(1H-imidazol-1-yl)-4,5-dihydro-1H-pyrazole
-
-
3-(N-L-gamma-Glu-L-Ala)-1,1,1-trifluoropropan-2-one
-
-
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
-
-
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
-
0.01 mM, 40% inhibition
3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
-
-
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
-
-
-
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-methoxyquinolin-2-(1H)one
-
-
-
3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
-
-
-
3-[N-(N-benzyloxycarbonyl-L-Leu)]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-(N-benzyloxycarbonyl-L-Phe)]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-(N-tert-butoxycarbonyl)-L-Leu]-1,1,1-trifluorobutan-2-one
-
-
3-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-[N-decanoyl-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-{N-[N-tert-butoxycarbonyl-L-gamma-Glu(OtBu)-L-Ala]}-1,1,1-trifluoropropan-2-one
-
-
4,5-anhydro-2-([N-[(benzyloxy)carbonyl]-L-phenylalanyl]amino)-1,2-dideoxy-D-erythro-pent-3-ulose
-
-
4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
-
-
4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
-
-
4-((S)-2-((2S,3S)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methylpentanamido)-N,N-dimethyl-6-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-5-oxohexanamide
-
-
4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-chlorophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methylphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methylphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
-
-
4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine
-
competitive inhibitor, 58.23% inhibition at 0.1 mM
4-benzyloxy-3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
-
4-benzyloxy-3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
-
4-benzyloxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
-
4-hydroxy-3-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
-
4-hydroxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
-
4-methoxy-6-[([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)methyl]-2H-pyran-2-one
-
-
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
-
4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
-
competitive inhibitor, 49.14% inhibition at 0.1 mM
4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
-
-
4-[(E)-[(2-methoxyphenyl)imino]methyl]-2-phenyl-1,3-oxazol-5-yl acetate
-
-
4-[(Z)-[1-(4-fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]benzoic acid
-
-
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
4-[2-(2-benzyloxycarbonylamino-3-tert-butoxy-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
5,7-dichloro-4-hydroxy-3-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1H-quinolin-2-one
-
-
-
5,7-dichloro-4-hydroxy-3-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl]quinolin-2(1H)-one
-
-
5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
-
-
5-bromopyridin-3-yl thiophene-2-carboxylate
-
-
5-chloropyridin-3-yl (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
-
-
5-chloropyridin-3-yl 1-acetyl-1H-indole-4-carboxylate
-
-
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1-naphthoate
-
-
5-chloropyridin-3-yl 1-[(3-nitrophenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-2-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-4-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-6-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-7-carboxylate
-
-
5-chloropyridin-3-yl 2-nitrobenzoate
-
-
5-chloropyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
-
-
5-chloropyridin-3-yl 3-nitrobenzoate
-
-
5-chloropyridin-3-yl 4-chlorobenzoate
-
-
5-chloropyridin-3-yl 5-(2-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(3-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-chloro-2-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-chlorophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl isonicotinate
-
-
5-chloropyridin-3-yl nicotinate
-
-
5-chloropyridin-3-yl thiophene-2-carboxylate
-
-
5-[(4-chlorophenyl)sulfonyl]pyrimidine-2,4-diamine
-
-
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
acetyl-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-leucylalanyl-alanyl-ketomethyl(cycloglutamine)-phthalhydrazide
-
-
acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-Thr-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-valyl-(O-benzyloxy)threonyl-leucyl-ketomethyl(cycloglutamine)-phthalhydrazide
-
-
benzyl ((2S,3R)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(5-(2-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(5-(4-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxohexan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
-
-
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)carbamate
-
-
-
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
-
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-(p-tolyl)thiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
-
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-phenylthiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
-
benzyl (2S,3S)-3-tert-butoxy-1-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-ylamino)-1-oxobutan-2-ylcarbamate
-
-
benzyl [(1S)-1-benzyl-3-chloro-2-oxopropyl]carbamate
-
potent and selective inhibitor
benzyl [(1S)-3-chloro-1-(4-fluorobenzyl)-2-oxopropyl]carbamate
-
potent and selective inhibitor
benzyl [(1S)-3-chloro-1-(naphthalen-2-ylmethyl)-2-oxopropyl]carbamate
-
potent and selective inhibitor
benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
-
benzyl [(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
benzyl [(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
benzyl [(2S)-1-[[(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
-
-
benzyl [(7S,8R,9R,10S)-8,9-dihydroxy-7,10-bis(1H-indol-3-ylmethyl)-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
highly selective for the 3CL protease and that no inhibitionis observed against HIV protease at 0.1 mM
betulinic acid
-
competitive
bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
-
-
Bz-Ala-Val-Leu-Phe-trifluromethyl ketone
-
-
Bz-Val-Asn-Ser-Thr-Leu-Gln-CMK
-
-
celastrol
-
competitive inhibitor
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
-
-
dihydrocelastrol
-
-
DTT
-
80% of enzyme activity inhibited in the presence of 2.5 mM DTT
esculetin-4-carboxylic acid ethyl ester
-
a novel class of anti-SARS agents from the tropical marine sponge Axinella corrugata
ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-2-benzyl-6-methyl-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-5-[(N-tert-butyl-L-seryl)amino]-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl 3-((5S,8S)-2-(3-amino-3-oxopropyl)-5-benzyl-8-isobutyl-4,7,10-trioxo-12-phenyl-11-oxa-2,3,6,9-tetraazadodecan-1-oyl)oxirane-2-carboxylate
-
-
extracts of Rheum palmatum
-
-
-
Hexachlorophene
-
-
iguesterin
-
competitive inhibitor
methyl 3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-5-fluoro-4-oxopentanoate
-
potent and selective inhibitor
methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-benzo[d]imidazole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-3-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-3-ethyl-5-methoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-hydroxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isobutoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isopropoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-chloro-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-hydroxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-oxopyrrolidine-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-6-methoxy-1H-indole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzofuran-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzo[d]thiazole-2-carboxamide
-
-
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)indoline-2-carboxamide
-
-
N-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
-
-
N-(2-allylthiophenyl)cinnamide
-
-
N-(2-benzylthiophenyl)cinnamide
-
-
N-(2-carbomethoxyethylthiophenyl)cinnamide
-
-
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
-
N-(2-cinnamoylthiophenyl)cinnamide
-
-
N-(2-[2-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
-
N-(2-[2-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
-
N-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide
-
-
N-(3-methoxyphenyl)glycyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N-(4-aminophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-(4-methyl-2-[2-[(2S)-1-oxo-3-(thiophen-2-yl)propan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
-
N-(4-methyl-2-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-1,2-oxazole-5-carboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2,2-dimethylpropanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2-methylpropanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)benzamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclobutanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclohexanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclopropanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)propanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)thiophene-2-carboxamide
-
-
N-(furan-2-ylmethyl)-2-[[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl]acetamide
-
competitive inhibitor, 53.27% inhibition at 0.1 mM
N-acetyl-Ala-Val-Cha-His
-
-
-
N-acetyl-Asn-Val-Cha-His
-
-
-
N-acetyl-DSFDQ
-
micromolar inhibitor
-
N-acetyl-ESTLQ
-
micromolar inhibitor
-
N-acetyl-NSFSQ
-
micromolar inhibitor
-
N-acetyl-NSTSQ
-
micromolar inhibitor
-
N-acetyl-Ser-Ala-Val-Cha-His
-
-
-
N-acetyl-Ser-Ala-Val-Leu-His
-
-
-
N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH=CHCOOEt
-
-
-
N-acetyl-Ser-Ala-Val-Leu-NHCH-(CH2CH2CON(CH3)2)-CHO
-
-
-
N-acetyl-Ser-Ala-Val-Leu-NHCH[CH2CH2CON(CH3)2]CH2CH2CH=CHCOOC2H5
-
-
-
N-acetyl-Ser-Ala-Val-Phe-His
-
-
-
N-acetyl-Ser-Val-Cha-His
-
-
-
N-acetyl-Thr-Val-Cha-His
-
-
-
N-ethyl-N-phenyldithiocarbamic acid zinc
-
-
N-tert-butyl-2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide
-
-
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
-
-
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[2-(2-oxopyrrolidin-3-yl)ethyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[(1E)-3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
-
competitive inhibitor, 56.11% inhibition at 0.1 mM
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
-
-
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
-
competitive inhibitor, 81.43% inhibition at 0.1 mM
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
-
competitive inhibitor, 82.59% inhibition at 0.1 mM
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-leucinamide
-
-
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
-
-
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide
-
inhibits the viral protease, thus preventing CVB3 genome replication
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide
-
inhibits the viral protease, thus preventing CVB3 genome replication
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[2-(2-cyanocinnamoylthio)phenyl]-2-cyanocinnamide
-
-
N-[2-(2-pyridylmethylthio)phenyl]cinnamide
-
-
N-[2-(3-dimethylaminopropylthio)phenyl]-2-cyanocinnamide
-
-
N-[2-(3-pyridylmethylthio)phenyl]cinnamide
-
-
N-[3-(5-tert-butyl-2-methyl-3-furyl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
-
-
N-[4-(2-acetylpyridin-3-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
N-[4-(2-acetylpyrimidin-5-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-ethyl-1H-benzimidazol-2-amine
-
-
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-propyl-1H-benzimidazol-2-amine
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzimidazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-3-yl)-2-oxoethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(1H-1,2,3-triazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-benzimidazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-[4-(trimethylsilyl)-1H-1,2,3-triazol-1-yl]acetamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2,2-dimethylpropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2-methylpropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-3-methoxypropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]benzamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclobutanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclohexanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]propanamide
-
-
N-[4-[(4-chlorophenyl)sulfonyl]-3-(methylthio)-1H-pyrazol-5-yl]thiophene-2-carboxamide
-
-
N-[[3-(dimethylamino)phenoxy]acetyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
NaCl
-
80% of enzyme activity inhibited in the presence of 100 mM NaCl
niclosamide
-
-
NP-40
-
80% of enzyme activity inhibited in the presence of 0.1% NP-40
phenylmercuric acetate
-
-
Phenylmercuric nitrate
-
-
pristimerin
-
competitive inhibitor
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
-
-
savinin
-
competitive
sulfonyldi-4,1-phenylene bis(2,3,3-trichloroacrylate)
-
-
tert-butyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
-
tert-butyl (3S)-3-[[(benzyloxy)carbonyl]amino]-5-bromo-4-oxopentanoate
-
potent and selective inhibitor
tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
-
-
TG-0203770
-
-
TG-0204998
-
-
TG-0205221
-
-
TG-0205486
-
-
thimerosal
-
-
tingenone
-
competitive inhibitor
toluene-3,4-dithiolato zinc
-
-
Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole
-
-
-
zinc N-ethyl-N-phenyldithiocarbamate
-
-
[3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid
-
-
[benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,4-diylbis[carbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
ML300
-
enzyme bound with a ML300 analogue highlights a unique induced-fit reorganization of the S2-S4 binding pockets leading to the first submicromolar non-covalent 3CLpro inhibitors retaining a single amide bond
-
additional information
-
molecular docking identifies the binding of 3-chloropyridine moieties specifically to the S1 pocket of SARS-CoV Mpro
-
additional information
-
based on the X-ray structure of 3CLPro co-crystallized with a trans-alpha,beta-unsaturated ethyl ester, a set of QM/QM and QM/MM calculations are performed, yielding three models with increasingly higher the number of atoms. It is suggested 3CLPro inhibitors need small polar groups to decrease the energy barrier for alkylation reaction. The results can be useful for the development of new compounds against SARS
-
additional information
-
extracts from Rheum palmatum have a high level of inhibitory activity against 3CL protease with IC50 of 0.01376 mg/ml and an inhibition rate of up to 96%
-
additional information
-
not inhibited by N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH2CH-CHCOOEt and N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-(CH2)2-CH-CHCOOEt
-
additional information
-
the low inhibition potencies of known covalently interacting inhibitors may, at least in part, be attributed to insufficient fostering of the proton-transfer reaction
-
additional information
-
efforts to develop potent, non-covalent SARS-3CLpro inhibitors based upon a second chemical class of triazoles from our MLPCN screening campaign, detection of (benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamidophenyl carboxamides as enzyme inhibitors, noncovalent nanomolar inhibitors with an induced-fit binding, mechanism of action, overview. No inhibition by N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)benzamide, 2-methylpropyl (4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)carbamate, N-[4-(acetylamino)phenyl]-2-(1H-benzimidazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide, N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-benzimidazol-1-yl)acetamide, N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide, N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(1H-1,2,3-triazol-1-yl)acetamide, and N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-[4-(trimethylsilyl)-1H-1,2,3-triazol-1-yl]acetamide
-
additional information
-
design, synthesis, and biological evaluation of dipeptide-type enzyme inhibitors, docking and structure-activity relationship studie, overview
-
additional information
-
development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds, design, synthesis, biological evaluation, and molecular docking studies, overview
-
SplaateActivating_Compound, Organism, Commentary, Literature,Filename
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
PEG6000
-
3fold activation in the presence of 10% (w/v) PEG6000
Sodium sulfate
-
1 M sodium sulfate stimulates activity
bovine serum albumin
-
10% (w/v) bovine serum albumin improves the hydrolytic rate by a factor of 2
-
additional information
-
enzyme stimulation occurs in two steps, with approximately 8fold stimulation by N-terminal cleavage, approximately 4fold stimulation by C-terminal cleavage, and 23fold stimulation by the cleavage of both termini, compared to the pro-form with both the N- and C-terminal pro-sequences
-
SplaateKM_Value,KM_Value_Maximum, Substrate,Organism, Commentary, Literature, Filename
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.306
(Ala-Arg-Leu-Gln-NH)2-rhodamine
-
rate of hydrolysis measured by change in absorbance at 496 nm
0.0017
Abz-LQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.023
Abz-LQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0005
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.011
Abz-QTSITSAVLQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0024
Abz-SAVLQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.016
Abz-SAVLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0013
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.002
Abz-SAVLQSGFRKMAK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0016
Abz-SAVLQSGK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0136
Abz-SAVLQSGK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0011
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.0013
Abz-VLQSGFRK(Dnp)NH2
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.033
Abz-VLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
1.44
ATVRLQAGNAT
-
pH 7.3, room temperature
0.05642
Dabcyl-KTSAVLQSGFRKME-EDANS
-
wild type enzyme, in 10 mM sodium phosphate, 10 mM sodium chloride, 1 mM EDTA, 1 mM TCEP, pH 7.4, at 25C
0.06783
Dabcyl-KTSAVLQSGFRKME-EDANS
-
mutant enzyme N28A, in 10 mM sodium phosphate, 10 mM sodium chloride, 1 mM EDTA, 1 mM TCEP, pH 7.4, at 25C
0.0245
Dabcyl-KTSAVLQSGFRKME-EDANS-amide
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
-
0.549
FYPKLQASQAW
-
pH 7.3, room temperature
0.046
GPFVDRQTAQAAGTDT-NH2
-
pH 7.5, 37C, mutant enzyme R188I
0.004
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(303-306)
0.005
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q200E; mutant enzyme Q299N
0.006
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(304-306)
0.01
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A/Q299A; mutant enzyme S139A
0.011
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A; wild-type enzyme
0.012
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123a/R298A
0.013
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(299-306); mutant enzyme R298L; mutant enzyme S123A; mutant enzyme S123C
0.014
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(305-306)
0.015
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(300-306)
0.016
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298K
0.018
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299A
0.021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(297-306); mutant enzyme S139A/Q299A
0.022
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(302-306)
0.03
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(298-306); mutant enzyme DELTA(301-306)
0.037
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299K
0.146
o-aminobenzoyl-TSAVLQSGFRY(NO2)G
-
-
1.94
PHTVLQAVGAC
-
pH 7.3, room temperature
0.0186
SAVLQMGFRK
-
mutant enzyme T25G, at 37C
0.0766
SAVLQMGFRK
-
wild type enzyme, at 37C
0.0186
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
T25G mutant protein
0.0766
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
wild-type protein
0.583
SGVTFQGKFKK
-
pH 7.3, room temperature
0.18
SITSAVLQ-p-nitroanilide
-
-
0.073
SITSAVLQ-p-nitrophenyl ester
-
-
0.6
SITSAVLQSGFRKMA
-
-
61.9
SWTSAVLQSGFRKWA
-
HPLC-based cleavage assay, measurement of fluorescence emission at 353 nm
0.286
TFTRLQSLENV
-
pH 7.3, room temperature
0.2226
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
wild-type protein
0.3534
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
E166A mutant protein
0.0338
TSAVLQSGFRK-NH2
-
pH 7.5, 37C, mutant enzyme R188I
1.15
TSAVLQSGFRK-NH2
-
pH 7.3, room temperature
0.03817
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
mutant enzyme Q189A
0.04938
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
wild-type enzyme
0.045
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-['-(aminoethyl)amino]-naphthalenesulfonic acid
-
-
0.051
KVATVQSKMSD-NH2
-
pH 7.5, 37C, mutant enzyme R188I
additional information
additional information
-
steady-state analysis of the solvent isotope effects on KM-value
-
SplaateTurnover_Number, Turnover_Number_Maximum, Substrate,Organism,Commentary, Literature, Filename
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0153
(Ala-Arg-Leu-Gln-NH)2-rhodamine
SARS coronavirus
-
rate of hydrolysis measured by change in absorbance at 496 nm
0.003
Abz-LQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.02
Abz-LQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.28
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.6
Abz-QTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.07
Abz-SAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
3.3
Abz-SAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
2.9
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
3
Abz-SAVLQSGFRKMAK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.004
Abz-SAVLQSGK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.11
Abz-SAVLQSGK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.38
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.04
Abz-VLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
0.77
Abz-VLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
3.29
ATVRLQAGNAT
SARS coronavirus
-
pH 7.3, room temperature
1.57
FYPKLQASQAW
SARS coronavirus
-
pH 7.3, room temperature
76
GPFVDRQTAQAAGTDT-NH2
SARS coronavirus
-
pH 7.5, 37C, mutant enzyme R188I
0.00004
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(297-306)
0.00021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme R298A/Q299A
0.0006
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(298-306)
0.0007
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme Q299A
0.001
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(299-306)
0.0017
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme Q299N
0.0021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme Q299K
0.0022
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme Q200E
0.0034
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme R298A
0.0048
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme R298L; mutant enzyme S139A/Q299A
0.0069
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme S123a/R298A
0.017
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(300-306); mutant enzyme R298K
0.022
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(303-306)
0.025
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(301-306)
0.027
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(304-306)
0.03
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(302-306)
0.032
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
wild-type enzyme
0.033
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme S123A; mutant enzyme S139A
0.035
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme S123C
0.039
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
SARS coronavirus
-
mutant enzyme DELTA(305-306)
0.38
o-aminobenzoyl-TSAVLQSGFRY(NO2)G
SARS coronavirus
-
-
1.68
PHTVLQAVGAC
SARS coronavirus
-
pH 7.3, room temperature
1.6
SAVLQMGFRK
SARS coronavirus
-
wild type enzyme, at 37C
16.2
SAVLQMGFRK
SARS coronavirus
-
mutant enzyme T25G, at 37C
0.027
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
SARS coronavirus
-
wild-type protein
0.27
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
SARS coronavirus
-
T25G mutant protein
2.55
SGVTFQGKFKK
SARS coronavirus
-
pH 7.3, room temperature
0.86
SITSAVLQ-p-nitroanilide
SARS coronavirus
-
-
0.6
SITSAVLQ-p-nitrophenyl ester
SARS coronavirus
-
-
8.5
SITSAVLQSGFRKMA
SARS coronavirus
-
-
0.847
TFTRLQSLENV
SARS coronavirus
-
pH 7.3, room temperature
0.1
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
R298A mutant protein
0.31
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
E166A mutant protein
0.48
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
R298L mutant protein
0.63
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
wild-type protein
12.2
TSAVLQSGFRK-NH2
SARS coronavirus
-
pH 7.3, room temperature
4753
TSAVLQSGFRK-NH2
SARS coronavirus
-
pH 7.5, 37C, mutant enzyme R188I
0.14
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
SARS coronavirus
-
mutant enzyme Q189A
0.16
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
SARS coronavirus
-
wild-type enzyme
1.5
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid
SARS coronavirus
-
-
455
KVATVQSKMSD-NH2
SARS coronavirus
-
pH 7.5, 37C, mutant enzyme R188I
additional information
additional information
SARS coronavirus
-
steady-state analysis of the solvent isotope effects on kcat
-
SplaateKCat_KM_Value,KCat_KM_Value_Maximum, Substrate,Organism, Commentary, Literature, Filename
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.13
Abz-LQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19618
12
Abz-LQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19618
560
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
41950
545
Abz-QTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
41949
4.4
Abz-SAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19616
1440
Abz-SAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19616
2250
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
41953
1500
Abz-SAVLQSGFRKMAK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
41952
0.31
Abz-SAVLQSGK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19619
69
Abz-SAVLQSGK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19619
345
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
41951
1.2
Abz-VLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19617
592
Abz-VLQSGFRK(Dnp)NH2
SARS coronavirus
-
in the presence of 1 M sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25C
19617
0.012
Dabcyl-KTSAVLQSGFRKME-EDANS
SARS coronavirus
-
mutant enzyme N28A, in 10 mM sodium phosphate, 10 mM sodium chloride, 1 mM EDTA, 1 mM TCEP, pH 7.4, at 25C
18868
0.643
Dabcyl-KTSAVLQSGFRKME-EDANS
SARS coronavirus
-
wild type enzyme, in 10 mM sodium phosphate, 10 mM sodium chloride, 1 mM EDTA, 1 mM TCEP, pH 7.4, at 25C
18868
0.06
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
His-tagged artificial polyprotein (cyan fluorescent protein-SARS-CoV 3CLpro-yellow fluorescent protein)
12111
0.11
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
His-tagged artificial polyprotein (SARS-CoV 3CLpro-yellow fluorescent protein)
12111
0.53
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
SARS-CoV 3CLpro
12111
0.877
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
E166A mutant protein
12111
2.83
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
SARS coronavirus
-
wild-type protein
12111
SplaateKI_Value,KI_Value_Maximum, Inhibitor,Organism, Commentary, Literature, Filename
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0013
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(3,4-dimethoxyphenyl)acrylamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0007
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(4-methoxyphenyl)acrylamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0000031
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((S)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-3-methylbutanamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0013
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((2-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0007
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((3-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00069
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((4-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0074
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00061
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-hydroxyphenoxy)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00042
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00061
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(3-(4-methoxyphenyl)propanamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00069
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-cinnamamido-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0000041
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-((S)-3-methyl-2-(2-phenoxyacetamido)butanamido)pentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0032
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenoxyacetamido)pentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0032
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenylacetamido)pentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0074
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-(pyridin-3-yl)propanamido)pentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0059
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-methylbutanamido)pentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00042
(S)-N-((S)-1-(bnzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenoxy)acetamido)-4-methylpentanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00037
1-(naphthalen-2-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00017
1-hydroxypyridine-2-thione zinc
-
-
0.0000229
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.0000123
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.0000075
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.061
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
-
0.0000138
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole
-
-
0.00034
2,5-bis[[(benzyloxy)carbonyl]amino]-1,2,5,6-tetradeoxy-1,6-di-1H-indol-3-yl-L-iditol
-
-
0.0000075
2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0006
2-([N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl]amino)-5-[[(2S,5S)-5-[[(benzyloxy)carbonyl]amino]-2-(1-methylethyl)-4-oxohexanoyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
0.0000195
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline
-
-
0.0022
4,5-anhydro-2-([N-[(benzyloxy)carbonyl]-L-phenylalanyl]amino)-1,2-dideoxy-D-erythro-pent-3-ulose
-
-
0.0000111
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
-
0.0000174
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline
-
-
0.0000121
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline
-
-
0.0111
4-[(1H-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
pH and temperature not specified in the publication
0.00226
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.00066
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.000058
4-[2-(2-benzyloxycarbonylamino-3-tert-butoxy-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.000065
5-chloropyridin-3-yl 1H-indole-2-carboxylate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.029
benzyl ((2S,3R)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0025
benzyl ((S)-1-(((S)-1-(5-(2-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.052
benzyl ((S)-1-(((S)-1-(5-(4-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0012
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0016
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxohexan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00171
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0094
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
-
0.00046
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.037
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-(p-tolyl)thiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00066
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-phenylthiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.000053
benzyl (2S,3S)-3-tert-butoxy-1-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-ylamino)-1-oxobutan-2-ylcarbamate
-
-
0.0006
benzyl (2S,3S)-3-tert-butoxy-1-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-ylamino)-1-oxobutan-2-ylcarbamate
-
-
0.000306
benzyl [(1S)-1-benzyl-3-chloro-2-oxopropyl]carbamate
-
-
0.00038
benzyl [(1S)-3-chloro-1-(4-fluorobenzyl)-2-oxopropyl]carbamate
-
-
0.000371
benzyl [(1S)-3-chloro-1-(naphthalen-2-ylmethyl)-2-oxopropyl]carbamate
-
-
0.0006
benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
-
0.159
benzyl [(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.0493
benzyl [(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.112
benzyl [(2S)-1-[[(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.614
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.462
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
-
-
0.000073
benzyl [(7S,8R,9R,10S)-8,9-dihydroxy-7,10-bis(1H-indol-3-ylmethyl)-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
-
0.0082
betulinic acid
-
-
0.0042
celastrol
-
-
0.0005
ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
-
0.0137
Hexachlorophene
-
-
0.0005
Hg2+
-
-
0.0008
iguesterin
-
-
8.7e-17
lopinavir
-
in silico binding studies
0.000512
methyl 3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-5-fluoro-4-oxopentanoate
-
-
0.000022
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-benzo[d]imidazole-2-carboxamide
-
pH and temperature not specified in the publication
0.000065
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00068
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-3-carboxamide
-
pH and temperature not specified in the publication
0.0027
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
-
pH and temperature not specified in the publication
0.0075
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-3-ethyl-5-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000026
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-hydroxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00003
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isobutoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000048
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isopropoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0000063
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000028
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-chloro-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00016
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-hydroxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000067
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0067
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0027
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-oxopyrrolidine-2-carboxamide
-
pH and temperature not specified in the publication
0.00033
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-6-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.014
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzofuran-2-carboxamide
-
pH and temperature not specified in the publication
0.0008
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzo[d]thiazole-2-carboxamide
-
pH and temperature not specified in the publication
0.00012
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)indoline-2-carboxamide
-
pH and temperature not specified in the publication
0.00003
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
-
0.323
N-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00039
N-(3-methoxyphenyl)glycyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.04124
N-acetyl-DSFDQ
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
-
0.00827
N-acetyl-ESTLQ
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
-
0.04098
N-acetyl-NSFSQ
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
-
0.07273
N-acetyl-NSTSQ
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
-
0.001
N-ethyl-N-phenyldithiocarbamic acid zinc
-
-
0.0032
N-tert-butyl-2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00224
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.000038
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide
-
-
0.297
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.135
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.0452
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
0.0000041
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.0022
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
-
0.478
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
0.021
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.116
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
-
0.363
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.0341
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.000054
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide
-
-
0.000099
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
0.000058
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
2.1e-16
N-[3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl]-2-methylfuran-3-carboxamide
-
in silico binding studies
0.0000031
N-[[3-(dimethylamino)phenoxy]acetyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.584
N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.0007
phenylmercuric acetate
-
-
0.0003
Phenylmercuric nitrate
-
-
0.0031
pristimerin
-
-
6e-18
promazine
-
in silico binding studies
0.0091
savinin
-
-
0.023
tert-butyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0004
tert-butyl (3S)-3-[[(benzyloxy)carbonyl]amino]-5-bromo-4-oxopentanoate
-
-
0.000058
TG-0203770
-
in 10 mM MES, pH 6.5, and 25C
0.000038
TG-0204998
-
in 10 mM MES, pH 6.5, and 25C
0.000054
TG-0205221
-
in 10 mM MES, pH 6.5, and 25C
0.000099
TG-0205486
-
in 10 mM MES, pH 6.5, and 25C
0.0024
thimerosal
-
-
0.004
tingenone
-
-
0.0014
toluene-3,4-dithiolato zinc
-
-
0.0000041
Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole
-
pH and temperature not specified in the publication
-
0.0011
Zn2+
-
-
0.016
[3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid
-
-
0.00004
[benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
0.006
[benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
0.006
[benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
0.00004
[benzene-1,4-diylbis[carbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
0.0045
[benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
SplaateIC50_Value,IC50_Value_Maximum, Inhibitor,Organism, Commentary, Literature, Filename
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.005
(2E)-N-[2-[4-(dimethylamino)butyl]phenyl]-3-phenylprop-2-enamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.00066
(5S,8S,11S,E)-methyl 8-isobutyl-5-isopropyl-3,6,9-trioxo-11-(((S)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazatetradec-12-en-14-oate
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0006
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methyl-N-((S)-4-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)pentanamide
SARS coronavirus
-
-
0.000065
(S)-N-((S)-1-(((S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl)amino)-3-cyclohexyl-1-oxopropan-2-yl)-2-((S)-2-((S)-2-acetamido-3-hydroxypropanamido)propanamido)-3-methylbutanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.014
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((2-methoxyphenyl)amino)acetamido)-4-methylpentanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.01
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((3-methoxyphenyl)amino)acetamido)-4-methylpentanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.043
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylpentanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0017
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-((S)-3-methyl-2-(2-phenoxyacetamido)butanamido)pentanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.024
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenoxyacetamido)pentanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.025
1,1'-sulfonylbis(4-nitrobenzene)
SARS coronavirus
-
-
0.00095
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
SARS coronavirus
-
-
0.00037
1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
SARS coronavirus
-
-
0.00037
1-(2-naphthylmethyl)isatin-5-carboxamide
SARS coronavirus
-
-
0.0081
1-butyl-N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1H-benzimidazol-2-amine
SARS coronavirus
-
-
0.0002
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-benzotriazole
SARS coronavirus
-
-
0.012
1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
SARS coronavirus
-
-
0.06279
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1,5-dihydro-2H-pyrrol-2-one
SARS coronavirus
-
pH and temperature not specified in the publication
0.018
2',5'-dimethyl-3-(methylthio)-4'-nitro-5-(2-thienyl)-2'H-1,3'-bipyrazole-4-carbonitrile
SARS coronavirus
-
-
0.0003
2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
SARS coronavirus
-
-
0.000051
2-(1H-benzotriazol-1-yl)-N-(biphenyl-4-yl)-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0253
2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-N-[4-[(methylsulfonyl)amino]phenyl]acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0015
2-(1H-benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0021
2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.00097
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.002
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-4-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.032
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-arabinosyl-4H-chromen-4-one
SARS coronavirus
-
-
0.043
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
SARS coronavirus
-
-
0.049
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-glucosyl-4H-chromen-4-one
SARS coronavirus
-
-
0.024
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-L-fucosyl-4H-chromen-4-one
SARS coronavirus
-
-
0.061
2-(3',4'-dihydroxyphenyl)-5-hydroxy-3,7-di(beta-D-galactosyl)-4H-chromen-4-one
SARS coronavirus
-
-
0.04
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
SARS coronavirus
-
-
0.0043
2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
SARS coronavirus
-
-
0.075
2-(5-bromopyridin-3-yl)-1-(2-(4-chlorophenyl)oxazol-5-yl)ethanone
SARS coronavirus
-
-
-
0.057
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2,2-difluoroethanone
SARS coronavirus
-
-
-
0.028
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
SARS coronavirus
-
-
0.013
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
SARS coronavirus
-
-
0.0098
2-acetyl-3-(3-iodophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
SARS coronavirus
-
-
0.007
2-benzyl-2H-isoindole-4,7-dione
SARS coronavirus
-
-
0.0103
2-methylpropyl [4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]carbamate
SARS coronavirus
-
pH and temperature not specified in the publication
0.0025
2-phenylethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
SARS coronavirus
-
-
0.016
2-[(2-acetylphenyl)sulfonyl]benzoic acid
SARS coronavirus
-
-
0.0182
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SARS coronavirus
-
-
0.015
2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
SARS coronavirus
-
-
0.0106
2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
0.0353
2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
0.007
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
SARS coronavirus
-
-
0.0025
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
SARS coronavirus
-
-
0.0025
3-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-(1H-imidazol-1-yl)-4,5-dihydro-1H-pyrazole
SARS coronavirus
-
-
0.05
3-(N-L-gamma-Glu-L-Ala)-1,1,1-trifluoropropan-2-one
SARS coronavirus
-
-
0.0172
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0172
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
SARS coronavirus
-
-
0.016
3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
SARS coronavirus
-
-
0.01
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
-
0.002
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-methoxyquinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
-
0.0125
3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
-
0.015
3-[N-(N-benzyloxycarbonyl-L-Leu)]-4-phenyl-1,1,1-trifluorobutan-2-one
SARS coronavirus
-
-
0.02
3-[N-(N-benzyloxycarbonyl-L-Phe)]-4-phenyl-1,1,1-trifluorobutan-2-one
SARS coronavirus
-
-
0.04
3-[N-(N-tert-butoxycarbonyl)-L-Leu]-1,1,1-trifluorobutan-2-one
SARS coronavirus
-
-
0.01
3-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
SARS coronavirus
-
-
0.05
3-[N-[N-decanoyl-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
SARS coronavirus
-
-
0.04
3-[N-[N-tert-butoxycarbonyl-L-gamma-Glu(OtBu)-L-Ala]]-1,1,1-trifluoropropan-2-one
SARS coronavirus
-
-
0.013
4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
SARS coronavirus
-
-
0.013
4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
SARS coronavirus
-
-
0.0061
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
0.0061
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0169
4-(4-chlorophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
0.0263
4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
0.018
4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
SARS coronavirus
-
-
0.05835
4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine
SARS coronavirus
-
pH and temperature not specified in the publication
0.0125
4-benzyloxy-3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one, 4-benzyloxy-3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one, 4-benzyloxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one, 4-hydroxy-3-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one, 4-hydroxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
-
0.0072
4-methoxy-6-[([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)methyl]-2H-pyran-2-one
SARS coronavirus
-
-
0.1014
4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
SARS coronavirus
-
pH and temperature not specified in the publication
0.016
4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
SARS coronavirus
-
-
0.0033
4-[(E)-[(2-methoxyphenyl)imino]methyl]-2-phenyl-1,3-oxazol-5-yl acetate
SARS coronavirus
-
-
0.0068
4-[(Z)-[1-(4-fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]benzoic acid
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0125
5,7-dichloro-4-hydroxy-3-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1H-quinolin-2-one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
-
0.01
5,7-dichloro-4-hydroxy-3-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl]quinolin-2(1H)-one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
0.0106
5,7-dichloro-4-hydroxy-3-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl]quinolin-2(1H)-one
SARS coronavirus
-
-
0.005
5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
SARS coronavirus
-
-
0.0005
5-bromopyridin-3-yl thiophene-2-carboxylate
SARS coronavirus
-
pH and temperature not specified in the publication
0.00014
5-chloropyridin-3-yl (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SARS coronavirus
-
-
0.00108
5-chloropyridin-3-yl 1-acetyl-1H-indole-4-carboxylate
SARS coronavirus
-
-
0.0004
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
SARS coronavirus
-
-
0.000124
5-chloropyridin-3-yl 1-naphthoate
SARS coronavirus
-
-
0.000089
5-chloropyridin-3-yl 1-[(3-nitrophenyl)sulfonyl]-1H-indole-5-carboxylate
SARS coronavirus
-
-
0.00037
5-chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
SARS coronavirus
-
-
0.00003
5-chloropyridin-3-yl 1H-indole-4-carboxylate
SARS coronavirus
-
-
0.00003
5-chloropyridin-3-yl 1H-indole-4-carboxylate
SARS coronavirus
-
pH and temperature not specified in the publication
0.00031
5-chloropyridin-3-yl 1H-indole-5-carboxylate
SARS coronavirus
-
-
0.00023
5-chloropyridin-3-yl 1H-indole-6-carboxylate
SARS coronavirus
-
-
0.00008
5-chloropyridin-3-yl 1H-indole-7-carboxylate
SARS coronavirus
-
-
0.000333
5-chloropyridin-3-yl 2-nitrobenzoate
SARS coronavirus
-
-
0.000108
5-chloropyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
SARS coronavirus
-
-
0.000648
5-chloropyridin-3-yl 3-nitrobenzoate
SARS coronavirus
-
-
0.000434
5-chloropyridin-3-yl 4-chlorobenzoate
SARS coronavirus
-
-
0.000208
5-chloropyridin-3-yl 5-(2-nitrophenyl)-2-furoate
SARS coronavirus
-
-
0.0005
5-chloropyridin-3-yl 5-(3-nitrophenyl)-2-furoate
SARS coronavirus
-
-
0.000122
5-chloropyridin-3-yl 5-(4-chloro-2-nitrophenyl)-2-furoate
SARS coronavirus
-
-
0.000063
5-chloropyridin-3-yl 5-(4-chlorophenyl)-2-furoate
SARS coronavirus
-
-
0.00006
5-chloropyridin-3-yl 5-(4-nitrophenyl)-2-furoate
SARS coronavirus
-
-
0.000164
5-chloropyridin-3-yl isonicotinate
SARS coronavirus
-
-
0.000697
5-chloropyridin-3-yl nicotinate
SARS coronavirus
-
-
0.0005
5-chloropyridin-3-yl thiophene-2-carboxylate
SARS coronavirus
-
-
0.155
acetyl-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
SARS coronavirus
-
-
0.037
acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
SARS coronavirus
-
-
0.026
acetyl-Thr-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
SARS coronavirus
-
-
6
acetyl-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
SARS coronavirus
-
-
0.0022
benzyl ((S)-1-(((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.021
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.01
betulinic acid
SARS coronavirus
-
-
0.0026
bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
SARS coronavirus
-
-
0.01
Bz-Ala-Val-Leu-Phe-trifluromethyl ketone
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0103
celastrol
SARS coronavirus
-
-
0.323
cinanserin
SARS coronavirus
-
-
0.0235
curcumin
SARS coronavirus
-
-
0.04
curcumin
SARS coronavirus
-
-
0.016
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
SARS coronavirus
-
-
0.0217
dihydrocelastrol
SARS coronavirus
-
-
0.046
esculetin-4-carboxylic acid ethyl ester
SARS coronavirus
-
-
0.87
ethyl (2E,4S)-4-[[(2R,5S)-2-benzyl-6-methyl-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
SARS coronavirus
-
-
0.08
ethyl (2E,4S)-4-[[(2R,5S)-5-[(N-tert-butyl-L-seryl)amino]-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
SARS coronavirus
-
-
0.8
ethyl (2E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
SARS coronavirus
-
-
0.0026
iguesterin
SARS coronavirus
-
-
0.02
N-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
SARS coronavirus
-
-
0.0197
N-(2-allylthiophenyl)cinnamide
SARS coronavirus
-
-
0.206
N-(2-benzylthiophenyl)cinnamide
SARS coronavirus
-
-
0.0135
N-(2-carbomethoxyethylthiophenyl)cinnamide
SARS coronavirus
-
-
0.00006
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
SARS coronavirus
-
-
0.00106
N-(2-cinnamoylthiophenyl)cinnamide
SARS coronavirus
-
-
0.062
N-(2-[2-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
3
N-(2-[2-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
SARS coronavirus
-
IC50 about 3 mM, in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
0.01
N-(3-methoxyphenyl)glycyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.02
N-(4-aminophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.048
N-(4-methyl-2-[2-[(2S)-1-oxo-3-(thiophen-2-yl)propan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
2
N-(4-methyl-2-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
SARS coronavirus
-
IC50 about 2 mM, in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
0.026
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-1,2-oxazole-5-carboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0225
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2,2-dimethylpropanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0041
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2-methylpropanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0038
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclobutanecarboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0091
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclopropanecarboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0069
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)propanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.09072
N-(furan-2-ylmethyl)-2-[[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl]acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.00027
N-acetyl-Ala-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.01
N-acetyl-Asn-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.000065
N-acetyl-Ser-Ala-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.0057
N-acetyl-Ser-Ala-Val-Leu-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.33
N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH=CHCOOEt
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.037
N-acetyl-Ser-Ala-Val-Leu-NHCH-(CH2CH2CON(CH3)2)-CHO
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.00039
N-acetyl-Ser-Ala-Val-Phe-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.00034
N-acetyl-Ser-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.00098
N-acetyl-Thr-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37C
-
0.015
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
SARS coronavirus
-
-
0.01
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[2-(2-oxopyrrolidin-3-yl)ethyl]but-2-en-1-yl]-L-leucinamide
SARS coronavirus
-
-
0.07709
N-[(1E)-3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0015
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.04139
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.03857
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.2
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-leucinamide
SARS coronavirus
-
-
0.3
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
SARS coronavirus
-
-
0.0017
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0095
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0437
N-[2-(2-cyanocinnamoylthio)phenyl]-2-cyanocinnamide
SARS coronavirus
-
-
0.293
N-[2-(2-pyridylmethylthio)phenyl]cinnamide
SARS coronavirus
-
-
0.125
N-[2-(3-dimethylaminopropylthio)phenyl]-2-cyanocinnamide
SARS coronavirus
-
-
0.347
N-[2-(3-pyridylmethylthio)phenyl]cinnamide
SARS coronavirus
-
-
0.01
N-[3-(5-tert-butyl-2-methyl-3-furyl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
SARS coronavirus
-
-
0.0007
N-[4-(2-acetylpyridin-3-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0125
N-[4-(2-acetylpyrimidin-5-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0084
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-ethyl-1H-benzimidazol-2-amine
SARS coronavirus
-
-
0.008
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-propyl-1H-benzimidazol-2-amine
SARS coronavirus
-
-
0.0062
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-3-yl)-2-oxoethyl]acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0077
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.011
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0133
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2,2-dimethylpropanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0036
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2-methylpropanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0034
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-3-methoxypropanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0081
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclobutanecarboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0221
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclohexanecarboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0041
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.0029
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]propanamide
SARS coronavirus
-
pH and temperature not specified in the publication
0.015
N-[4-[(4-chlorophenyl)sulfonyl]-3-(methylthio)-1H-pyrazol-5-yl]thiophene-2-carboxamide
SARS coronavirus
-
-
0.04
niclosamide
SARS coronavirus
-
-
0.0055
pristimerin
SARS coronavirus
-
-
0.003
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
SARS coronavirus
-
-
0.025
savinin
SARS coronavirus
-
-
0.0009
sulfonyldi-4,1-phenylene bis(2,3,3-trichloroacrylate)
SARS coronavirus
-
-
0.032
tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
SARS coronavirus
-
-
0.0099
tingenone
SARS coronavirus
-
-
0.013
2-(5-bromopyridin-3-yl)-1-[5-(4-chlorophenyl)furan-2-yl]ethanone
SARS coronavirus
-
pH and temperature not specified in the publication
additional information
2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
additional information
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
additional information
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
additional information
2-(benzylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
0.0006
4-((S)-2-((2S,3S)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methylpentanamido)-N,N-dimethyl-6-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-5-oxohexanamide
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
additional information
4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
0.0203
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
-
additional information
4-(4-methylphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
additional information
4-(4-methylphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
0.006
5-[(4-chlorophenyl)sulfonyl]pyrimidine-2,4-diamine
SARS coronavirus
-
-
additional information
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
0.007
methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SARS coronavirus
-
-
additional information
additional information
SARS coronavirus
-
extracts of Rheum palmatum show IC50 values between 0.014 mg/ml and 0.059 mg/ml
-
SplaateSpecific_Activity, Specific_Activity_Maximum, Organism ,Commentary, Literature
SplaatepH_Optimum, pH_Optimum_Maximum, Organism, Commentary, Literature
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
7
-
substrate: TSAVLQSGFRK-NH2
7.4
-
wild-type enzyme
7.6
-
mutant enzyme C145S
SplaatepH_Range,pH_Range_Maximum, Organism,Commentary, Literature
pH RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
6 - 9
-
pH 6: about 50% of maximal activity, pH 9: about 65% of maximal activity, substrate: TSAVLQSGFRK-NH2
6.3 - 8.7
-
pH 6.3: about 55% of maximal activity, pH 8.7: about 45% of maximal activity, wild-type enzyme
6.3 - 9.3
-
pH 6.3: about 55% of maximal activity, pH 9.3: about 45% of maximal activity, mutant enzyme C145S
6.5 - 8.5
-
-
SplaateTemperature_Optimum, Temperature_Optimum_Maximum, Organism, Commentary, Literature
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
30
-
autocatalytic assay at
SplaateTemperature_Range, Temperature_Range_Maximum, Organism, Commentary, Literature
SplaatepI_Value,pI_Value_Maximum, Organism,Commentary, Literature
pI VALUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
6.24
-
mutant enzyme R188I, calculated from sequence
SplaateSource_Tissue, Organism, Commentary, Literature, Textmining
SplaateLocalization, Organism, Commentary, id_go, Literature, Textmining
SplaatePDB,PDB,PDB,Organism,Uniprot_ID
PDB
SCOP
CATH
ORGANISM
UNIPROT
Human SARS coronavirus
Human SARS coronavirus
Human SARS coronavirus
Human SARS coronavirus
Human SARS coronavirus
Human SARS coronavirus
SplaateMolecular_Weight, Molecular_Weight_Maximum, Organism, Commentary, Literature
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
33760
-
determined by MALDI
668633
SplaateSubunits, Organism, Commentary, Literature
SUBUNITS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
dimer
-
one monomer per asymmetric unit, dimer is generated through the crystallographic twofold
dimer
-
the SARS coronavirus main proteinase is a homodimer. Investigation of the monomer-dimer equilibrium
dimer
-
the enzyme exists as a mixture of monomer and dimer at a higher protein concentration (4 mg/ml) and exclusively as a monomer at a lower protein concentration
dimer
-
dimerization is important for enzyme activity and only one active protomer in the dimer is enough for the catalysis
dimer
-
by comparing molecular dynamics simulation of dimer and monomer, the indirect reasons for the inactivation of the monomer are found, that is the conformational variations of the active site in the monomer relative to dimer
dimer
-
wild type and DELTA(300306) proteases exist with dimer as the major form. The major form becomes monomeric in DELTA(299306), DELTA(298306) and DELTA(297306)
dimer
-
a mixture of monomer and dimer at a protein concentration of 4 mg/ml and mostly monomer at 0.2 mg/ml. The dimer may be the biological functional form of the protein
dimer
-
in solution the wild type protease exhibits both forms of monomer and dimer and the amount of the monomer is almost equal to that of the dimeric form
dimer
-
SARS-CoV Mpro exists in solution as an equilibrium of both monomeric and dimeric forms, and the dimeric form is the enzymatically active form
dimer
-
is only enzymatically active as a homodimer. Arg298 serves as a key component for maintaining dimerization, and consequently, its mutation will trigger a cooperative switch from a dimer to a monomer. The monomeric enzyme is irreversibly inactivated because its catalytic machinery is frozen in the collapsed state, characteristic of the formation of a short 310-helix from an active-site loop. Dimerization appears to be coupled to catalysis in 3CLpro through the use of overlapped residues for two networks, one for dimerization and another for the catalysis
homodimer
-
x-ray crystallography
homodimer
-
analytical ultracentrifugation, gel filtration
homodimer
-
tendency of substrate induced dimer formation, gel filtration, analytic ultracentrifugation
homodimer
only the dimeric enzyme is active
homodimer
-
2 * 34000
homodimer
the coronaviral enzyme consists of three domains and the catalytic dyad His/Cys is located at the interface between domains I and II. The first two domains have an antiparallel beta-barrel structure that forms a folding scaffold similar to other viral chymotrypsin-like proteases. The functional unit of Mpro is a homodimer and each subunit contains a His41-Cys145 catalytic dyad
homodimer
-
2 * 34000, mature, catalytically active enyzme, SDS-PAGE, SARS-CoV 3CLpro exists as a homodimer, in which each protomer has an active site
monomer
-
the enzyme exists as a mixture of monomer and dimer at a higher protein concentration (4 mg/ml) and exclusively as a monomer at a lower protein concentration
monomer
-
by comparing molecular dynamics simulation of dimer and monomer, the indirect reasons for the inactivation of the monomer are found, that is the conformational variations of the active site in the monomer relative to dimer
monomer
-
wild type and DELTA(300306) proteases exist with dimer as the major form. The major form becomes monomeric in DELTA(299306), DELTA(298306) and DELTA(297306)
monomer
-
a mixture of monomer and dimer at a protein concentration of 4 mg/ml and mostly monomer at 0.2 mg/ml. The dimer may be the biological functional form of the protein
monomer
-
in solution the wild type protease exhibits both forms of monomer and dimer and the amount of the monomer is almost equal to that of the dimeric form
additional information
molecular mechanism of substrate-induced dimerization, overview
SplaatePosttranslational_Modification, Organism, Commentary, Literature
POSTTRANSLATIONAL MODIFICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
proteolytic modification
-
the enzyme self-activates via autoprocessing, analysis using enzyme pro-forms with the N-terminal pro-sequence, the C-terminal pro-sequence or both pro-sequences as catalyst toward the pro-form with both N- and C-terminal pro-sequences, mechanism, overview. The stimulation occurs in two steps, with approximately 8fold stimulation by N-terminal cleavage, approximately 4fold stimulation by C-terminal cleavage, and 23fold stimulation by the cleavage of both termini, compared to the pro-form with both the N- and C-terminal pro-sequences. Such cleavage mainly occurs in a trans manner, i.e. the pro-form dimer cleaves the monomeric form. C-terminal cleavage is due to removal of its trans (inter-dimer) inhibitory effect
SplaateCommentary, Organism, Literature
Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
crystal structure of monomeric mutant enzyme G11A
-
1.8 A X-ray crystal structure of 3Clpro bound to an irreversible inhibitor, an alpha,beta-epoxyketone
-
complexed with inhibitors TG-0204998 and TG-0205486, sitting drop vapor diffusion method, using 3-6% (w/v) PEG 6000, 4-6% (v/v) DMSO or methyl-2,4-pentanediol, 1 mM dithiothreitol, 0.1 M MES, pH 6.5; crystal structures of 3Cpro from CVB3 and 3CLpro from CoV-229E and SARS-CoV in complex with inhibitors are solved
-
crystals grown in hanging-drop vapour-diffusion method
-
enzyme-inhibitor complex, hanging-drop method
-
hanging-drop vapor-diffusion method. Crystal structure of the enzyme at a resolution of 1.82 A, in space group P21 at pH 6.0. Two crystal structures of Mpro having an additional Ala at the N terminus of each protomer (M+A(-1)pro), both at a resolution of 2.00 A, in space group P43212: one unbound and one bound by a substrate-like aza-peptide epoxide
-
monomeric crystal structure of the SARS-CoV 3CLpro mutant R298A at a resolution of 1.75 A, hanging drop method
-
mutant enzyme N28A, hanging drop vapor diffusion method, using 1.0 M sodium malonate (pH 7.0), and 5-6% (v/v) isopropanol
-
mutant enzyme R188I alone or in complex with several inhibitors, sitting drop vapor diffusion method, using 9-11% (w/v) of PEG 20000, 100 mM MES, pH 6.0, and 5 mM dithiothreitol
-
purified recombinant mutant enzyme R298A with bound substrate, sitting drop vapour diffusion method, mixing of 15 mg/ml protein with substrate TSAVLQ-4-nitroanilide and reservoir solution containing 0.1 M Tris, pH 8.0, 30% w/v PEG 300, 5% w/v PEG 1000, 22C, 3 days, X-ray diffraction structure determination and analysis at 2.09 A resolution, molecular replacement method
SARS 3CLpro bound to two phthalhydrazide-charged peptidyl inhibitors, acetyl-valyl-(O-benzyloxy)threonyl-leucyl-ketomethyl(cycloglutamine)-phthalhydrazide and acetyl-leucylalanyl-alanyl-ketomethyl(cycloglutamine)-phthalhydrazide. The inhibitors are covalently attached to SARS 3CLpro in crystals
-
SARS-CoV 3CLpro bound with an inhibitor ML300 analogue, X-ray structure determination and analysis
-
SARS-CoV Mpro in complex with Cm-FF-H, Ac-ESTLQ-H, Ac-DSFDQ-H, Ac-NSTSQ-H, Ac-NSFSQ-H, or Ac-ESTLQ-H, sitting drop vapor diffusion method, using 8% (w/v) PEG 6000, 0.1 M MES (pH 6.0), 3% (v/v) 2-methyl-2,4-pentanediol, and 3% (v/v) DMSO, at 20C
-
sitting drop diffusion method, crystallization of SARS 3CLpro-inhibitor complexes
-
structures of monomeric and dimeric forms of the C-terminal domain of Mpro (Mpro-C). Mpro-C monomer maintains the same fold as that in the crystal structure of Mpro. On the other hand, the Mpro-C dimer has a novel structure characterized by 3D domain-swapping, which provides the structural basis for the dimer stability
-
X-ray, resolution of 2.0 A for tetragonal crystals, 2.14 A for monoclinic crystals and 2.8 A for orthorhombic crystals, pH-dependent change of structure
-
hanging drop vapor diffusion method, crystals of S139A mutant are grown from the mother liquor containing 0.1 M MES pH 6.0, 10% (w/v) PEG 6000, 1 mM dithiohtreitol, and 5% (v/v) DMSO, crystals of F140A are grown at three pH values in 0.1 M MES pH 6.0/0.1 M MES pH 6.5/0.1 M Tris pH 7.6, with 10% (w/v) PEG 6000, 1 mM dithiothreitol, and 5% (v/v) DMSO
SplaatepH_Stability,pH_Stability_Maximum, Organism, Commentary, Literature
SplaateTemperature_Stability,Temperature_Stability_Maximum, Organism, Commentary, Literature
TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
61
-
Tm-value, sigmoid denaturation curve
691145
SplaateGeneral_Stability, Organism, Literature
GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
replacing Arg with Ile at position 188 renders the protease resistant to proteolysis
-
SplaateOrganic_Solvent, Organism, Commentary, Literature
ORGANIC SOLVENT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
guanidine-HCl
-
dimeric enzyme dissociates at guanidinium chloride concentration of less than 0.4 M, at which the enzymatic activity loss showes close correlation with the subunit dissociation. Further increase in guanidinium chloride induces a reversible biphasic unfolding of the enzyme. The unfolding of the C-terminal domain-truncated enzyme follows a monophasic unfolding curve. Unfolding curves of mutants of the full-length protease W31 and W207/W218 are monophasic but correspond to the first and second phases of the protease, respectively. The unfolding intermediate of the protease represents a folded C-terminal domain but an unfolded N-terminal domain, which is enzymatically inactive due to loss of regulatory properties
additional information
-
the enzyme activity is unaffected by Brij-35, Triton X-100 and Tween 20 or SDS
SplaateOxidation_Stability,Organism,Literature
SplaateStorage_Stability, Organism, Literature
SplaateCommentary, Organism, Literature
Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
ammonium sulfate precipitation and anion-exchange column chromatography; ammonium sulfate precipitation, anion-exchange chromatography
-
commercial preparation
-
E166A mutant protein: immobilized metal ion affinity chromatography (Ni2+)
-
fused to maltose-binding protein, removing the maltose-binding protein by cleavage with factor Xa, purification by Phenyl Sepharose column chromatography
-
glutathione S-transferase column chromatography and HiTrap 26/10 QFF column chroamtography
-
immobilized metal ion affinity chromatography (Ni2+); Ni-NTA column chromatography
-
nickel affinity column chromatography and Q-Sepharose column chromatography, and Superdex 75 gel filtration
-
purification of proteolysis-resistant mutant R188I of the SARS 3CL protease
-
recombinant enzyme
-
recombinant His-tagged mutant R298A enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography, followed by gel filtration and ultrafiltration
recombinant His-tagged SARS-CoV 3CL protease
-
Resource-Q column chromatography, gel filtration
-
strong cation column chromatography connected in series to a strong anion column chromatography
-
wild-type enzyme and C-terminally truncated proteases
-
glutathione Sepharose column chromatography and Superdex 75 gel filtration
SplaateCommentary, Organism, Literature
Cloned/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
mutant enzyme G11A and wild-type enzyme are expressed in Escherichia coli
-
E166A mutant protein expressed in Escherichia coli BL21(DE3)
-
expressed in E. coli BL21
-
expressed in Escherichia coli
-
expressed in Escherichia coli BL21 cells
-
expressed in Escherichia coli BL21 Star(DE3) cells
-
expressed in Escherichia coli Rosetta (DE3) cells
-
expressed in Escherichia coli; wild type and His-tagged T25G mutant are expressed in Escherichia coli cells
-
expression in Escherichia coli
-
fused to maltose-binding protein and expressed in E. coli BL21
-
high level of expression of of proteolysis-resistant mutant R188I in Escherichia coli
-
His-tagged artificial polyprotein (cyan fluorescent protein-SARS-CoV 3CLpro-yellow fluorescent protein) expressed in Escherichia coli
-
His-tagged SARS-CoV 3CL protease expressed in Escherichia coli
-
R298A protease is expressed in Escherichia coli strain BL21(DE3)
-
recombinant expression of His-tagged mutant R298A enzyme in Escherichia coli strain BL21(DE3) from pET-28a(+) vector
wild-type and mutant glutathione S-transferase-fusion constructs are transformed into Escherichia coli BL21 cell strain for overexpression
-
wild-type enzyme and C-terminally truncated proteases, expression in Escherichia coli
-
expressed in Escherichia coli BL21(DE3) cells
SplaateCommentary, Organism, Literature
SplaateEngineering, Organism, Commentary, Literature
ENGINEERING
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
G11A
-
mutation entirely abolishes activity
C145A
-
no irreversible inactivation by benzotriazole esters
C300A
-
mutant enzyme shows more than 30% of wild-type activity
E14A
-
the ratio of dimer to monomer in solution is 0.36, compared to 1 for the wild-type enzyme
E166A
-
involved in connecting the substrate binding site with the dimer interface, dimerization influenced by substrate binding
E166A/R298A
-
monomer
E288A
-
mutant enzyme retains less than 10% of the wild-type activity
F140A
-
the ratio of dimer to monomer in solution is 0.63, compared to 1 for the wild-type enzyme
F291A
-
activity is higher than that of wild-type enzyme
F3A
-
the ratio of dimer to monomer in solution is 0.93, compared to 1 for the wild-type enzyme
G283A
-
no significant activity differences from the wild-type protease
I286A
-
activity is higher than that of wild-type enzyme
N214A
-
mutant enzyme shows more than 30% of wild-type activity
N289A
-
mutant enzyme retains less than 10% of the wild-type activity
N28A
-
the mutation almost completely inactivates the enzyme and results in decreased dimerization
Q189A
-
kcat for the substrate [4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] is 1.14 fold lower than wild-type value, Km-value for the substrate [4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] is 1.3fold lower than the wild-type value
Q1N
-
site-directed mutagenesis, the mutation results in loss of cleavage at this site
Q290A
-
mutant enzyme retains less than 10% of the wild-type activity
Q299A
-
mutant enzyme retains less than 10% of the wild-type activity
Q299A
-
the quaternary structures of exists in a mixture of monomeric and dimeric forms
Q299E
-
more than 90% loss of activity
Q299K
-
more than 90% loss of activity
Q299N
-
more than 90% loss of activity
Q306N
-
site-directed mutagenesis, the mutation results in loss of cleavage at this site
R188I
-
replacing Arg with Ile at position 188 renders the protease resistant to proteolysis. The catalytic ability of 3CL-R188I protease was found to be extreme as compared to that of a mature 3CL protease containing a C-terminal His tag. The kcat values is 0.0203 per sec for mature 3CL protease and 4753 per sec for the 3CL-R188I
R188I
-
the enzymatic efficiency of the R188I mutant is increased by a factor of more than 1 million
R298A
-
mutant enzyme retains less than 10% of the wild-type activity
R298A
-
the quaternary structures of exists in a mixture of monomeric and dimeric forms
R298A
-
monomeric mutant
R298A
-
induce dimer dissociation (influenced by substrate binding), about 10fold decrease in activty
R298A
site-directed mutagenesis, the enzyme mutant shows a reversible substrate-induced dimerization that is essential for catalysis. In substrate-bound mutant enzyme crystals, a dimer with a mutual orientation of the monomers that differs from that of the wild-type protease is present in the asymmetric unit. The presence of a complete substrate-binding pocket and oxyanion hole in both protomers suggests that they are both catalytically active, while the two domain IIIs show minor reorganization. Reorganization of the dimer in the R298A mutant, verview
R298A/Q299A
-
mutant is present almost exclusively in the monomeric form
R298A/Q299A
-
monomer, no activity detected
R298K
-
mutation has no significant effect on activity
R298L
-
mutation destroys 85% of the enzyme activity
R298L
-
induce dimer dissociation (influenced by substrate binding), about 10fold decrease in activty
R4A
-
the ratio of dimer to monomer in solution is 0.45, compared to 1 for the wild-type enzyme
S10A
-
the ratio of dimer to monomer in solution is 0.66, compared to 1 for the wild-type enzyme
S123A
-
mutation does not destroy the enzyme activity, the dimeric structure remains intact
S123C
-
mutation does not destroy the enzyme activity, the dimeric structure remains intact
S139A
-
mutation can destroy neither the enzyme activity nor the dimeric structure; mutation does not destroy the enzyme activity, the dimeric structure remains intact
S139A
-
the ratio of dimer to monomer in solution is 0.81, compared to 1 for the wild-type enzyme
S1A
-
the ratio of dimer to monomer in solution is 1.08, compared to 1 for the wild-type enzyme
S284A
-
activity is higher than that of wild-type enzyme
S284A/T285A/I286A
-
activity is 3.7fold higher than wild-type activity
S301A
-
no significant activity differences from the wild-type protease
T25G
-
activity like wild-type (substrate DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS), higher specific activity than wild-type protein for substrate Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys; the mutant enzyme has an expanded S1' space that demonstrates 43.5-fold better kcat/Km compared with wild type in cleaving substrates with a larger Met at P1', mutant enzyme T25G shows a 12fold and 8fold higher activity against the substrates with Met and Leu at P1', respectively
T25S
-
almost complete loss of activity
T280A
-
no significant activity differences from the wild-type protease
T285A
-
activity is higher than that of wild-type enzyme
F140A
mutant F140A is a dimer with the most collapsed active pocket discovered so far, well-reflecting the stabilizing role of this residue, the mutant enzyme is completely inactive
S139A
mutant S139A is a monomer that still retains a small fraction of dimer in solution, which may account for its remaining activity
L282A
-
mutant enzyme shows more than 30% of wild-type activity
additional information
-
truncation of C-terminus from 306 to 300 has no appreciable effect on the quaternary structure, and the enzyme remains catalytically active. Further deletion of Gln299 or Arg298 drastically decreases the enzyme activity to 12% of wild type, and the major form is a monomeric one. The catalytic constant and specificity constant (kcat/Km) of the proteases are significantly decreased in the DELTA(299306), DELTA(298306), and DELTA(297306) mutants. Wild type and DELTA(300306) proteases exist with dimer as the major form. The major form becomes monomeric in DELTA(299306), DELTA(298306) and DELTA(297306)
additional information
-
without the N-finger, SARS-CoV Mpro can no longer retain the active dimer structure. It can form a new type of dimer which is inactive. Therefore, the N-finger of SARS-CoV Mpro is not only critical for its dimerization but also essential for the enzyme to form the enzymatically active dimer
additional information
-
development of a SARS 3CL protease autoprocessing system by use of the Escherichia coli cell-free protein synthesis system, with the N- and C-terminal 10 amino acid pro-sequences accompanied by an S-tag and a His-tag, respectively
SplaateCommentary, Organism, Literature
Renatured/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
reversible unfolding of SARS-CoV main protease in guanidine-HCl. In the presence of 6 M of guanidine-HCl, the enzyme is completely unfolded in 10 min. The unfolding is completely reversible. A 10fold dilution induces refolding of the enzyme to a yield of 92-95%
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SplaateApplication,Organism,Commentary,Literature
APPLICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
analysis
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developing a novel red-shifted fluorescence-based assay for 3CLpro and its application for identifying small-molecule anti-SARS agents from marine organisms
drug development
the enzyme is an attractive target for the development of anti-SARS drugs
drug development
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coronavirus main protease (M(pro)) represents an attractive drug target for antiviral therapy of coronavirus infections, including severe acute respiratory syndrome (SARS)
medicine
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this enzyme is a target for the design of potential anti-SARS drugs
medicine
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SARS-3CLpro is a viral cysteine protease critical to the life cycle of the pathogen and hence a therapeutic target of importance