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Enzyme Nomenclature
Information on EC 3.4.22.69 - SARS coronavirus main proteinase
for references in articles please use BRENDA:EC3.4.22.69
Word Map on EC 3.4.22.69
- 3.4.22.69
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mpros
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polyproteins
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anti-sars
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antiviral
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chymotrypsin-like
- coronaviruses
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replicase
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anti-sars-cov
- norovirus
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autocleavage
- medicine
- drug development
- analysis
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The enzyme appears in viruses and cellular organisms
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EC NUMBER 
COMMENTARY 
3.4.22.69
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RECOMMENDED NAME
GeneOntology No.
SARS coronavirus main proteinase
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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.
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
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CAS REGISTRY NUMBER
COMMENTARY
218925-73-6
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37353-41-6
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ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
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667075, 667918, 669868, 678172, 678313, 678335, 678512, 678590, 678619, 678690, 678728, 679164, 679216, 679402, 679408, 679734, 680643, 681287, 681289, 681313, 681418, 681443, 682785, 690620, 691145, 691200, 691218, 691222, 691242, 691304, 691480, 691735, 691768, 692371, 692911, 693255, 693700, 693917, 693918, 694999, 695025, 707665, 707696, 707708, 707753, 707798, 707802, 709130, 717244, 717308, 717343, 717450, 718259, 731749
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GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
additional information
physiological function
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the enzyme is required for viral polyprotein processing
physiological function
3CLpro is vital for SARS-coronavirus replication
physiological function
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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
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substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the enzyme, overview
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
(Ala-Arg-Leu-Gln-NH)2-rhodamine
rhodamine 110 + (Ala-Arg-Leu-Gln-NH)-rhodamine
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-
-
-
?
(CAL fluor red 610)-TSAVLQSGFRK(BHQ1) + H2O
(CAL fluor red 610)-TSAVLQ + SGFRK(BHQ1)
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-
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?
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide + H2O
2-aminobenzoyl-TSAVLQ + SGFRK-2,4-dinitrophenyl amide
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-
-
-
?
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-LYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
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-
-
-
?
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRKMAFPSGK(Dnp)NH2
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-
-
-
?
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-SGADVLYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
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-
-
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?
acetyl-TSAVLH-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSAVLH + 7-amino-4-carbamoyl-coumarin
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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
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?
acetyl-TSTKLQ-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSTKLQ + 7-amino-4-carbamoyl-coumarin
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optimized fluorogenic peptide substrate. The enzyme exhibits a strong preference for P1 Gln containing substrates and P2 Leu containing substrates
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?
coronavirus polyprotein + H2O
?
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3CLpro processes the translated polyproteins to functional viral proteins
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?
cyan fluorescent protein-TSAVLQSGFRKM-yellow fluorescent protein + H2O
cyan fluorescent protein-TSAVLQ + SGFRKM-yellow fluorescent protein
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?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
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-
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?
Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide
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?
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
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-
-
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?
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
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?
EDANS-VNSTLQSGLRK-(Dabcyl)-M + H2O
EDANS-VNSTLQ + SGLRK-(Dabcyl)-M
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?
GPFVDRQTAQAAGTDT-NH2 + H2O
?
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1% of the activity with TSAVLQSGFRK-NH2
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?
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
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?
KVATVQSKMSD-NH2
?
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undecapeptide containing the non-canonical P3/P4 cleavage site of 3CL protease, 6% of the activity with TSAVLQSGFRK-NH2
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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
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?
MCAAVLQSGFR-Lys(Dnp)-Lys-NH2 + H2O
MCAAVLQ + Ser-Gly-Phe-Arg-Lys(Dnp)-Lys-NH2
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?
o-aminobenzoyl-TSAVLQSGFRY(3-NO2)G + H2O
o-aminobenzoyl-TSAVLQ + SGFRY(3-NO2)G
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?
SAVLQEGFRK + H2O
SAVLQ + EGFRK
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the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
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?
SAVLQFGFRK + H2O
SAVLQ + FGFRK
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the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
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?
SAVLQGGFRK + H2O
SAVLQ + GGFRK
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the cleavage rate of the mutant enzyme T25G is similar to the wild type enzyme
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?
SAVLQLGFRK + H2O
SAVLQ + LGFRK
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the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
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?
SAVLQMGFRK + H2O
SAVLQ + MGFRK
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the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
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?
Ser-Ala-Val-Leu-Gln-Leu-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Leu-Gly-Phe-Arg-Lys
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substrate for T25G mutant protein
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?
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Met-Gly-Phe-Arg-Lys
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?
Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys
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?
SWTSAVAQSGFRKWA + H2O
SWTSAVAQ + SGFRKWA
less than 10% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVCQSGFRKWA + H2O
SWTSAVCQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVFQSGFRKWA + H2O
SWTSAVFQ + SGFRKWA
about 70% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVHQSGFRKWA + H2O
SWTSAVHQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVIQSGFRKWA + H2O
SWTSAVIQ + SGFRKWA
about 45% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVMQSGFRKWA + H2O
SWTSAVMQ + SGFRKWA
about 58% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVNQSGFRKWA + H2O
SWTSAVNQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVPQSGFRKWA + H2O
SWTSAVPQ + SGFRKWA
about 10% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVQQSGFRKWA + H2O
SWTSAVQQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVSQSGFRKWA + H2O
SWTSAVSQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVTQSGFRKWA + H2O
SWTSAVTQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVVQSGFRKWA + H2O
SWTSAVVQ + SGFRKWA
about 55% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVWQSGFRKWA + H2O
SWTSAVWQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
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?
SWTSAVYQSGFRKWA + H2O
SWTSAVYQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
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?
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + p-nitroaniline
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-
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?
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
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?
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
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?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGF RKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
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?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
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?
[4-(4-dimethylaminophenylazo)benzoic acid]-VNSTLQSGLRK-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]-M + H2O
?
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?
SAVLQSGFRK + H2O
SAVLQ + SGFRK
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best substrate for both, wild type and mutant enzyme T25G
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?
SGVTFQGKFKK + H2O
SGVTFQ + GKFKK
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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
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?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
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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
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?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
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peptide containing the P1/P2 cleavage site, the N-terminal self-cleavage site of the protease, most suitable substrate
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?
additional information
?
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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
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additional information
?
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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
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additional information
?
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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
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additional information
?
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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
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additional information
?
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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
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additional information
?
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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
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additional information
?
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cuts the 11 peptides covering all of the 11 cleavage sites on the viral polyprotein with different efficiency
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additional information
?
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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
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additional information
?
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3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences
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additional information
?
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no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA
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additional information
?
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the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position
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additional information
?
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the enzyme performs autoprocessing, overview. As 3CLpro requires a glutamine residue at the P1 position of the substrate
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additional information
?
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the enzyme shows a substrate-induced catalytic mechanism that further enhances its substrate specificity, overview
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NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
coronavirus polyprotein + H2O
?
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3CLpro processes the translated polyproteins to functional viral proteins
-
-
?
additional information
?
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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
?
-
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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
?
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3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences
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INHIBITORS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(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
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(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
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(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
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(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
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-
(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
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-
(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
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(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
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(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
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(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
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-
(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-butyl-N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1H-benzimidazol-2-amine
-
-
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
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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-[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)-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-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
-
-
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-([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-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-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
-
0.01 mM, 30% inhibition
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-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-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-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-((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-([[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-[(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-[(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-chloropyridin-3-yl (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
-
-
5-chloropyridin-3-yl 1-[(3-nitrophenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
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
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
-
-
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
-
-
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
-
-
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
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-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
-
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-(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-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-[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
-
-
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
-
-
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
-
-
[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[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
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
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
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
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
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
0.0005
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
0.0245
Dabcyl-KTSAVLQSGFRKME-EDANS-amide
-
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
61.9
SWTSAVLQSGFRKWA
-
HPLC-based cleavage assay, measurement of fluorescence emission at 353 nm
0.03817 - 0.04938
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
0.045
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-['-(aminoethyl)amino]-naphthalenesulfonic acid
-
-
additional information
additional information
-
steady-state analysis of the solvent isotope effects on KM-value
-
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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 25°C
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
0.03817
[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
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0153
(Ala-Arg-Leu-Gln-NH)2-rhodamine
-
rate of hydrolysis measured by change in absorbance at 496 nm
0.28
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 25°C
0.6
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 25°C
2.9
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 25°C
3
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 25°C
0.38
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 25°C
0.14 - 0.16
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
1.5
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid
-
-
additional information
additional information
-
steady-state analysis of the solvent isotope effects on kcat
-
0.003
Abz-LQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
0.02
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 25°C
0.07
Abz-SAVLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
3.3
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 25°C
0.004
Abz-SAVLQSGK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
0.11
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 25°C
0.04
Abz-VLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
0.77
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 25°C
0.00004
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(297-306)
0.00021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A/Q299A
0.0006
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(298-306)
0.0007
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299A
0.001
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(299-306)
0.0017
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299N
0.0021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299K
0.0022
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q200E
0.0034
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A
0.0048
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298L; mutant enzyme S139A/Q299A
0.0069
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123a/R298A
0.017
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(300-306); mutant enzyme R298K
0.022
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(303-306)
0.025
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(301-306)
0.027
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(304-306)
0.03
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(302-306)
0.033
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123A; mutant enzyme S139A
0.035
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123C
0.039
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(305-306)
0.14
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
mutant enzyme Q189A
0.16
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
wild-type enzyme
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
560
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 25°C
545
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 25°C
2250
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 25°C
1500
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 25°C
345
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 25°C
0.13
Abz-LQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
12
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 25°C
4.4
Abz-SAVLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
1440
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 25°C
0.31
Abz-SAVLQSGK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
69
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 25°C
1.2
Abz-VLQSGFRK(Dnp)NH2
-
in the absence of sodium sulfate, pH 7.5 in 50 mM Tris-HCl buffer with 1 mM dithiothreitol, at 25°C
592
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 25°C
0.012
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 25°C
0.643
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 25°C
0.06
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
His-tagged artificial polyprotein (cyan fluorescent protein-SARS-CoV 3CLpro-yellow fluorescent protein)
0.11
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
His-tagged artificial polyprotein (SARS-CoV 3CLpro-yellow fluorescent protein)
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
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
0.061
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
-
-
0.0022
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
-
-
0.0111
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 - 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
0.000371
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
-
-
0.0005
ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
-
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
0.0032
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
-
-
0.023
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
-
-
0.0000041
Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole
-
pH and temperature not specified in the publication
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
-
-
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
-
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
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
0.00095
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
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
-
-
0.06279
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
-
-
0.0043
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
-
pH and temperature not specified in the publication
0.0098
2-acetyl-3-(3-iodophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
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
-
-
0.0182
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
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
-
-
0.0172
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
-
-
0.01
3-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-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
-
-
0.0006
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
0.0061
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
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
-
-
0.0203
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
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
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
0.0125
4-benzyloxy-3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
0.0125
4-benzyloxy-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
0.0125
4-hydroxy-3-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
SARS coronavirus
-
in 10 mM HEPES at pH 7.5, temperature not specified in the publication
0.0125
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
0.0033
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 - 0.0106
5,7-dichloro-4-hydroxy-3-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl]quinolin-2(1H)-one
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
-
-
0.000089
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
-
-
0.0022
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
Bz-Ala-Val-Leu-Phe-trifluromethyl ketone
SARS coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.016
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
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
-
-
0.007
methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SARS coronavirus
-
-
0.02
N-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
SARS coronavirus
-
-
0.00006
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
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 37°C
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 37°C
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 37°C
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 37°C
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 37°C
0.01
N-acetyl-Asn-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C
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 37°C
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 37°C
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 37°C
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 37°C
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 37°C
0.00034
N-acetyl-Ser-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C
0.00098
N-acetyl-Thr-Val-Cha-His
SARS coronavirus
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C
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
0.01
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
-
-
0.003
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
SARS coronavirus
-
-
0.032
tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
SARS coronavirus
-
-
additional information
2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
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
0.01
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
-
-
0.00003
5-chloropyridin-3-yl 1H-indole-4-carboxylate
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
additional information
4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
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
additional information
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
SARS coronavirus
-
IC50 above 0.05 mM
additional information
additional information
SARS coronavirus
-
extracts of Rheum palmatum show IC50 values between 0.014 mg/ml and 0.059 mg/ml
-
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pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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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
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TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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pI VALUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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PDB
SCOP
CATH
ORGANISM
UNIPROT
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MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
34000
34000
-
2 * 34000, mature, catalytically active enyzme, SDS-PAGE, SARS-CoV 3CLpro exists as a homodimer, in which each protomer has an active site
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SUBUNITS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
dimer
homodimer
monomer
additional information
molecular mechanism of substrate-induced dimerization, overview
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(300–306) proteases exist with dimer as the major form. The major form becomes monomeric in DELTA(299–306), DELTA(298–306) and DELTA(297–306)
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
-
tendency of substrate induced dimer formation, gel filtration, analytic ultracentrifugation
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(300–306) proteases exist with dimer as the major form. The major form becomes monomeric in DELTA(299–306), DELTA(298–306) and DELTA(297–306)
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
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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
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Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
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
-
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, 22°C, 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
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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 20°C
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sitting drop diffusion method, crystallization of SARS 3CLpro-inhibitor complexes
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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
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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
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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
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TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
replacing Arg with Ile at position 188 renders the protease resistant to proteolysis
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ORGANIC SOLVENT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
guanidine-HCl
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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
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the enzyme activity is unaffected by Brij-35, Triton X-100 and Tween 20 or SDS
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Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
ammonium sulfate precipitation and anion-exchange column chromatography; ammonium sulfate precipitation, anion-exchange chromatography
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E166A mutant protein: immobilized metal ion affinity chromatogra