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Information on EC 3.4.22.69 - SARS coronavirus main proteinase
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- 3.4.22.69
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syndrome-coronavirus
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The enzyme appears in viruses and cellular organisms
Synonyms
2019-nCoV 3C-like protease, 3C-like cysteine protease, 3C-like peptidase, 3C-like protease, 3CL protease, 3CL-pro, 3cLpro, C30.004, chymotrypsin-like protease, coronavirus 3C-like protease, 
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SYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
3C-like protease
3CL protease
3cLpro
C30.004
-
-
-
-
coronavirus 3C-like protease
coronavirus main protease
Mpro
porcine transmissible gastroenteritis virus Mpro
-
-
-
-
SARS 3C-like proteinase
-
-
SARS 3CL protease
SARS 3CLpro
SARS coronavirus 3C-like proteinase
-
-
SARS coronavirus main protease
SARS coronavirus main proteinase
-
-
SARS CoV main proteinase
-
-
SARS-CoV 3CL protease
SARS-CoV 3CLpro
-
-
SARS-CoV main protease
-
-
SARS-CoV Mpro
SARS-CoV nsp5-pp1a/pp1ab 3CL protease
-
severe acute respiratory syndrome coronavirus 3C-like protease
-
-
severe acute respiratory syndrome coronavirus 3CLpro
-
-
severe acute respiratory syndrome coronavirus main protease
severe acute respiratory syndrome coronavirus main proteinase
-
-
severe acute respiratory syndrome coronavirus Mpro
-
TGEV Mpro
-
-
-
-
3C-like protease
-
-
3cLpro
-
-
-
-
3cLpro
-
-
coronavirus 3C-like protease
-
Mpro
-
-
-
-
SARS coronavirus main protease
-
SARS-CoV 3CL protease
-
-
severe acute respiratory syndrome coronavirus main protease
-
-
severe acute respiratory syndrome coronavirus main protease
-
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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
-
37353-41-6
-
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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
-
-
-
-
?
(CAL fluor red 610)-TSAVLQSGFRK(BHQ1) + H2O
(CAL fluor red 610)-TSAVLQ + SGFRK(BHQ1)
-
-
-
-
?
2-aminobenzoyl-SVTLQSG-Tyr(NO2)Arg + H2O
?
-
-
-
-
?
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide + H2O
2-aminobenzoyl-TSAVLQ + SGFRK-2,4-dinitrophenol amide
-
-
-
-
?
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide + H2O
2-aminobenzoyl-TSAVLQ + SGFRK-2,4-dinitrophenyl amide
-
-
-
-
?
AAVLQSGF-NH2 + H2O
AAVLQ + SGF-NH2
-
-
-
-
?
Abz-LQSGFRK(Dnp)NH2 + H2O
Abz-LQ + SGFRK(Dnp)NH2
-
-
-
-
?
Abz-LYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-LYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
-
-
-
-
?
Abz-QTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-QTSITSAVLQ + SGFRK(Dnp)NH2
-
-
-
-
?
Abz-SAVLQSGFRK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRK(Dnp)NH2
-
-
-
-
?
Abz-SAVLQSGFRKMAFPSGK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRKMAFPSGK(Dnp)NH2
-
-
-
-
?
Abz-SAVLQSGFRKMAK(Dnp)NH2 + H2O
Abz-SAVLQ + SGFRKMAK(Dnp)NH2
-
-
-
-
?
Abz-SAVLQSGK(Dnp)NH2 + H2O
Abz-SAVLQ + SGK(Dnp)NH2
-
-
-
-
?
Abz-SGADVLYQPPQTSITSAVLQSGFRK(Dnp)NH2 + H2O
Abz-SGADVLYQPPQTSITSAVLQ + SGFRK(Dnp)NH2
-
-
-
-
?
Abz-VLQSGFRK(Dnp)NH2 + H2O
Abz-VLQ + SGFRK(Dnp)NH2
-
-
-
-
?
acetyl-TSAVLH-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSAVLH + 7-amino-4-carbamoyl-coumarin
-
SARS-CoV 3Clpro prefers Gln over His in P1 position. Unlike SARS-CoV 3Clpro, His is strongly preferred in the P1 position by 3C-like proteases from infectious bronchitis virus murine hepatitis virus
-
-
?
acetyl-TSTKLQ-7-amido-4-carbamoyl-coumarin + H2O
acetyl-TSTKLQ + 7-amino-4-carbamoyl-coumarin
-
optimized fluorogenic peptide substrate. The enzyme exhibits a strong preference for P1 Gln containing substrates and P2 Leu containing substrates
-
-
?
ATVRLQAGNAT + H2O
ATVRLQ + AGNAT
-
-
-
-
?
AVLQS-NH2 + H2O
AVLQ + L-serinamide
-
-
-
-
?
AVLQSE-NH2 + H2O
AVLQ + Ser-Glu-NH2
-
-
-
-
?
AVLQSGF-NH2 + H2O
AVLQ + SGF-NH2
-
-
-
-
?
cyan fluorescent protein-TSAVLQSGFRKM-yellow fluorescent protein + H2O
cyan fluorescent protein-TSAVLQ + SGFRKM-yellow fluorescent protein
-
-
-
-
?
Dabcyl-KNSTLQSGLRKE-EDANS + H2O
Dabcyl-KNSTLQ + SGLRKE-EDANS
-
-
-
-
?
dabcyl-KTSAVLQSGFRKME-EDANS + H2O
?
-
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide
-
-
-
?
Dabcyl-KTSAVLQSGFRKMQ-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKMQ-EDANS
-
-
-
-
?
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
-
-
-
-
?
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
-
-
-
-
?
EDANS-VNSTLQSGLRK-(Dabcyl)-M + H2O
EDANS-VNSTLQ + SGLRK-(Dabcyl)-M
-
-
-
-
?
FYPKLQASQAW + H2O
FYPKLQ + ASQAW
-
-
-
-
?
GPFVDRQTAQAAGTDT-NH2 + H2O
?
-
1% of the activity with TSAVLQSGFRK-NH2
-
-
?
H-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
?
-
-
-
?
H-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
H-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-NH2
KVATVQSKMSD-NH2
?
-
undecapeptide containing the non-canonical P3/P4 cleavage site of 3CL protease, 6% of the activity with TSAVLQSGFRK-NH2
-
-
?
L-Thr-L-Ser-L-Ala-L-Val-L-Leu-L-Gln-4-nitroanilide + H2O
L-Thr-L-Ser-L-Ala-L-Val-L-Leu-L-Gln + 4-nitroaniline
-
-
-
-
?
LAVLQSGF-NH2 + H2O
LAVLQ + SGF-NH2
-
-
-
-
?
LQSG-NH2 + H2O
Leu-Gln + Ser-Gly-NH2
-
-
-
-
?
MCAAVLQSGFR-Lys(Dnp)-Lys-NH2 + H2O
MCAAVLQ + Ser-Gly-Phe-Arg-Lys(Dnp)-Lys-NH2
-
-
-
-
?
N-methylanthranilyl-TSAVLQSGFRK(2,4-dinitrophenyl) + H2O
?
-
-
-
?
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide + H2O
o-aminobenzoyl-TSAVLQSGFRK + 2,4-dinitrophenol amide
-
-
-
-
?
o-aminobenzoyl-TSAVLQSGFRY(3-NO2)G + H2O
o-aminobenzoyl-TSAVLQ + SGFRY(3-NO2)G
-
-
-
-
?
PATVLQAVGAC + H2O
PATVLQ + AVGAC
-
-
-
-
?
PHTVLQAVGAC + H2O
PHTVLQ + AVGAC
-
-
-
-
?
pp1a + H2O
?
cleavage of a viron polyprotein
-
-
?
pp1ab + H2O
?
cleavage of a viron polyprotein
-
-
?
SAALQSGF-NH2 + H2O
SAALQ + SGF-NH2
-
-
-
-
?
SAKLQSGF-NH2 + H2O
SAKLQ + SGF-NH2
-
-
-
-
?
SALLQSGF-NH2 + H2O
SALLQ + SGF-NH2
-
-
-
-
?
SATLQSGF-NH2 + H2O
SATLQ + SGF-NH2
-
-
-
-
?
SAVAQSGF-NH2 + H2O
SAVAQ + SGF-NH2
-
-
-
-
?
SAVFQSGF-NH2 + H2O
SAVMQ + SGF-NH2
-
-
-
-
?
SAVIQSGF-NH2 + H2O
SAVIQ + SGF-NH2
-
-
-
-
?
SAVLESGF-NH2 + H2O
SAVLE + SGF-NH2
-
-
-
-
?
SAVLKSGF-NH2 + H2O
SAVLK + SGF-NH2
-
-
-
-
?
SAVLNSGF-NH2 + H2O
SAVLN + SGF-NH
-
-
-
-
?
SAVLQAGF-NH2 + H2O
SAVLQ + AGF-NH2
-
-
-
-
?
SAVLQEGFRK + H2O
SAVLQ + EGFRK
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
-
?
SAVLQFGFRK + H2O
SAVLQ + FGFRK
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
-
?
SAVLQGGF-NH2 + H2O
SAVLQ + GGF-NH2
-
-
-
-
?
SAVLQGGFRK + H2O
SAVLQ + GGFRK
-
the cleavage rate of the mutant enzyme T25G is similar to the wild type enzyme
-
-
?
SAVLQHGFRK + H2O
SAVLQ + HGFRK
-
low activity
-
-
?
SAVLQKGFRK + H2O
SAVLQ + KGFRK
-
low activity
-
-
?
SAVLQLGF-NH2 + H2O
SAVLQ + LGF-NH2
-
-
-
-
?
SAVLQLGFRK + H2O
SAVLQ + LGFRK
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
-
?
SAVLQMGFRK + H2O
SAVLQ + MGFRK
-
the cleavage rate of the mutant enzyme T25G is remarkably higher compared to the wild type enzyme
-
-
?
SAVLQSGF-NH2 + H2O
SAVLQ + SGF-NH2
-
-
-
-
?
SAVLQWGFRK + H2O
SAVLQ + WGFRK
-
low activity
-
-
?
SAVMQSGF-NH2 + H2O
SAVMQ + SGF-NH2
-
-
-
-
?
SAVRQSGF-NH2 + H2O
SAVRQ + SGF-NH2
-
-
-
-
?
SAVVQSGF-NH2 + H2O
SAVVQ + SGF-NH2
-
-
-
-
?
Ser-Ala-Val-Leu-Gln-Leu-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Leu-Gly-Phe-Arg-Lys
-
substrate for T25G mutant protein
-
-
?
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Met-Gly-Phe-Arg-Lys
-
-
-
-
?
Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys + H2O
Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys
-
-
-
-
?
SITSAVLQ-p-nitroanilide + H2O
?
-
-
-
-
?
SITSAVLQ-p-nitrophenyl ester + H2O
?
-
-
-
-
?
SLVLQSGF-NH2 + H2O
SLVLQ + SGF-NH2
-
-
-
-
?
STVLQSGF-NH2 + H2O
STVLQ + SGF-NH2
-
-
-
-
?
SVVLQSGF-NH2 + H2O
SVVLQ + SGF-NH2
-
-
-
-
?
SWTSAVAQSGFRKWA + H2O
SWTSAVAQ + SGFRKWA
less than 10% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVCQSGFRKWA + H2O
SWTSAVCQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVFQSGFRKWA + H2O
SWTSAVFQ + SGFRKWA
about 70% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVHQSGFRKWA + H2O
SWTSAVHQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVIQSGFRKWA + H2O
SWTSAVIQ + SGFRKWA
about 45% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVLQSGFRKWA + H2O
SWTSAVLQ + SGFRKWA
100% activity
-
-
?
SWTSAVMQSGFRKWA + H2O
SWTSAVMQ + SGFRKWA
about 58% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVNQSGFRKWA + H2O
SWTSAVNQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVPQSGFRKWA + H2O
SWTSAVPQ + SGFRKWA
about 10% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVQQSGFRKWA + H2O
SWTSAVQQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVSQSGFRKWA + H2O
SWTSAVSQ + SGFRKWA
less than 1% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVTQSGFRKWA + H2O
SWTSAVTQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVVQSGFRKWA + H2O
SWTSAVVQ + SGFRKWA
about 55% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVWQSGFRKWA + H2O
SWTSAVWQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
-
-
?
SWTSAVYQSGFRKWA + H2O
SWTSAVYQ + SGFRKWA
less than 5% activity compared to SWTSAVLQSGFRKWA
-
-
?
TAVLQSGF + H2O
TAVLQ + SGF
-
lowest activity
-
-
?
TAVLQSGF-NH2 + H2O
TAVLQ + SGF-NH2
-
-
-
-
?
TFTRLQSLENV + H2O
TFTRLQ + SLENV
-
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-4-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + 4-nitroaniline
-
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide + H2O
Thr-Ser-Ala-Val-Leu-Gln + p-nitroaniline
-
-
-
-
?
Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys + H2O
Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys
-
-
-
?
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
-
-
-
-
?
TSAVLQ-4-nitroanilide + H2O
TSAVLQ + 4-nitroaniline
-
-
-
?
TVILQAGF + H2O
TVILQ + Ala-Gly-Phe
-
-
-
-
?
TVKLQAGF + H2O
TVKLQ + Ala-Gly-Phe
-
-
-
-
?
TVKLQAGF-NH2 + H2O
TVKLQ + AGF-NH2
-
-
-
-
?
TVRLQAGF + H2O
TVRLQ + Ala-Gly-Phe
-
-
-
-
?
TVRLQSGF + H2O
TVRLQ + SGF
-
highest activity
-
-
?
TVTLQSGF-NH2 + H2O
TVTLQ + SGF-NH2
-
-
-
-
?
TVVLQSGF-NH2 + H2O
TVVLQ + SGF-NH2
-
-
-
-
?
VLQS-NH2 + H2O
VLQ + L-serinamide
-
-
-
-
?
VLQSG-NH2 + H2O
VLQ + Ser-Gly-NH2
-
-
-
-
?
VVTLQSGF-NH2 + H2O
VVTLQ + SGF-NH2
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGF RKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-['-(aminoethyl)amino]-naphthalenesulfonic acid + H2O
?
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid + H2O
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQ + SGFRKME-5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
?
-
-
-
-
?
[4-(4-dimethylaminophenylazo)benzoic acid]-VNSTLQSGLRK-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]-M + H2O
?
-
-
-
-
?
coronavirus polyprotein + H2O
?
-
3CLpro processes the translated polyproteins to functional viral proteins
-
-
?
coronavirus polyprotein + H2O
?
during the formation of the coronaviral replication/transcription complex, essential steps include processing of the conserved polyprotein nsp7-10 region by the main protease Mpro and subsequent complex formation of the released nsps
-
-
?
coronavirus polyprotein + H2O
?
during the formation of the coronaviral replication/transcription complex, essential steps include processing of the conserved polyprotein nsp7-10 region by the main protease Mpro and subsequent complex formation of the released nsps. There is a clear order of cleavage efficiencies, which is influenced by the polyprotein tertiary structure. The predominant product is an nsp7+8(2:2) hetero-tetramer with nsp8 scaffold
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
-
?
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
-
-
-
?
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
-
-
-
?
KVATVQSKMSD + H2O
KVATVQ + SKMSD
-
-
-
-
?
KVATVQSKMSD + H2O
KVATVQ + SKMSD
-
weak activity
-
-
?
NRATLQAIASE + H2O
NRATLQ + AIASE
-
-
-
-
?
NRATLQAIASE + H2O
NRATLQ + AIASE
-
weak activity
-
-
?
NVATLQAENVT + H2O
NVATLQ + AENVT
-
-
-
-
?
NVATLQAENVT + H2O
NVATLQ + AENVT
-
weak activity
-
-
?
REPLMQSADAS + H2O
REPLMQ + SADAS
-
-
-
-
?
REPLMQSADAS + H2O
REPLMQ + SADAS
-
weak activity
-
-
?
SAVKLQNNELS + H2O
SAVKLQ + NNELS
-
-
-
-
?
SAVKLQNNELS + H2O
SAVKLQ + NNELS
-
weak activity
-
-
?
SAVLQSGFRK + H2O
SAVLQ + SGFRK
-
-
-
-
?
SAVLQSGFRK + H2O
SAVLQ + SGFRK
-
best substrate for both, wild type and mutant enzyme T25G
-
-
?
SGVTFQGKFKK + H2O
SGVTFQ + GKFKK
-
-
-
-
?
SGVTFQGKFKK + H2O
SGVTFQ + GKFKK
-
highest cleavage efficiency. The two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive ones
-
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
-
-
-
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
-
highest cleavage efficiency. The two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive ones
-
-
?
TSAVLQSGFRK-NH2 + H2O
TSAVLQ + SGFRK-NH2
-
peptide containing the P1/P2 cleavage site, the N-terminal self-cleavage site of the protease, most suitable substrate
-
-
?
additional information
?
-
-
a 3CLpro mechanism utilizes an electrostatic trigger to initiate the acylation reaction, a cysteine-histidine catalytic dyad ion pair, an enzyme-facilitated release of P1, and a general base catalyzed deacylation reaction
-
-
?
additional information
?
-
-
complete description of the tetrapeptide substrate specificity of 3Clpro using fully degenerate peptide libraries consisting of all 160 000 possible naturally occurring tetrapeptides. P1-Gln P2-Leu specificity and elucidate a novel preference for P1-His containing substrates equal to the expected preference for P1-Gln
-
-
?
additional information
?
-
-
SARS-CoV 3CLpro mediates extensive proteolytic processing of two overlapping replicase polyproteins, pp1a (486000 Da) and pp1ab (790000 Da), to yield the corresponding functional polypeptides that are essential for SARSCoV replication and transcription processes
-
-
?
additional information
?
-
-
the genomic RNA produces two large proteins with overlapping sequences, polyproteins 1a and 1ab, which are autocatalytically cleaved by two or three viral proteases to yield functional polypeptides. The key enzyme in this processing is SARS 3CL protease
-
-
?
additional information
?
-
-
a complete description of the tetrapeptide substrate specificity of 3Clpro using fully degenerate peptide libraries consisting of all 160000 possible naturally occurring tetrapeptides. The enzyme exhibits a strong preference for P1 Gln containing substrates and P2 Leu containing substrates. The enzyme also shows a strong preference for P1 histidine containing substrates. 3Clpro has extended substrate specificity at P5 and P6 preferring hydrophobic amino acids such as Leu
-
-
?
additional information
?
-
-
comprehensive overview of SARS-CoV 3CLpro substrate specificity. The hydrophobic pocket in the P2 position at the protease cleavage site is crucial to SARS-CoV 3CLpro-specific binding, which is limited to substitution by hydrophobic residue. The binding interface of SARS-CoV 3CLpro that is facing the P1' position is suggested to be occupied by acidic amino acids, thus the P1' position is intolerant to acidic residue substitution, owing to electrostatic repulsion. Steric hindrance caused by some bulky or branching amino acids in P3 and P2' positions may also hinder the binding of SARS-CoV 3CLpro. In addition to the conserved Gln residue in the P1 position at the SARS-CoV 3CLpro cleavage site, the P2 position, which is exclusively occupied by Leu residue, also serves as another important determinant of substrate specificity. Peptide substrate with Phe replacement in the P2 position is also favorable for SARSCoV 3CLpro cleavage. Ile is intolerant in the P2 position. P1' position, which is frequently occupied by Ser residue, also contributes to the substrate specificity of SARS-CoV 3CLpro considerably. The P1' position is highly unfavorable to the substitution by Pro, Asp, and Glu residues. The substrate specificity of SARS-CoV 3CLpro is less dependent on the P2' and P3 positions at the cleavage site. The peptide cleavage results show that the P3' and P4 positions have no effect on determining the substrate specificity preferences of SARS-CoV 3CLpro
-
-
?
additional information
?
-
-
cuts the 11 peptides covering all of the 11 cleavage sites on the viral polyprotein with different efficiency
-
-
?
additional information
?
-
-
the S3 subsite of the SARS CoVMpro has a negative character. The electrostatic interactions between Glu47 and P3Lys play a key role in specific binding. These observations are very important and provide further information for structural-based drug design against SARS virus
-
-
?
additional information
?
-
-
3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences
-
-
?
additional information
?
-
-
no cleavage of SAVLQPGFRK
-
-
?
additional information
?
-
no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA
-
-
?
additional information
?
-
-
no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA
-
-
?
additional information
?
-
the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position
-
-
?
additional information
?
-
-
the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position
-
-
?
additional information
?
-
-
the enzyme performs autoprocessing, overview. As 3CLpro requires a glutamine residue at the P1 position of the substrate
-
-
?
additional information
?
-
-
the enzyme shows a substrate-induced catalytic mechanism that further enhances its substrate specificity, overview
-
-
?
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
NATURAL SUBSTRATE
NATURAL 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
coronavirus polyprotein + H2O
?
-
3CLpro processes the translated polyproteins to functional viral proteins
-
-
?
coronavirus polyprotein + H2O
?
during the formation of the coronaviral replication/transcription complex, essential steps include processing of the conserved polyprotein nsp7-10 region by the main protease Mpro and subsequent complex formation of the released nsps
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
-
?
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
-
-
-
?
additional information
?
-
-
SARS-CoV 3CLpro mediates extensive proteolytic processing of two overlapping replicase polyproteins, pp1a (486000 Da) and pp1ab (790000 Da), to yield the corresponding functional polypeptides that are essential for SARSCoV replication and transcription processes
-
-
?
additional information
?
-
-
the genomic RNA produces two large proteins with overlapping sequences, polyproteins 1a and 1ab, which are autocatalytically cleaved by two or three viral proteases to yield functional polypeptides. The key enzyme in this processing is SARS 3CL protease
-
-
?
additional information
?
-
-
3CLpro cleaves the replicase polyproteins at 11 sites with the conserved Gln-(Ser, Ala, Gly) sequences
-
-
?
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
(2E)-N-[2-[4-(dimethylamino)butyl]phenyl]-3-phenylprop-2-enamide
-
-
(2S)-2-(8[(1R,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([(1R,3R,4aR,8aS)-1-8[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(1S,3R,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(1S,3S,4aR,8aS)-1[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methylamino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(1S,4aR,8aS)-1-[[benzyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(1S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3R,4aS,8aR)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3R,4aS,8aR)-2-(4-fluorophenyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
-
(2S)-2-([[(3R,4aS,8aR)-2-([1,1'-biphenyl]-4-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-(4-fluorobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-2-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-3-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-4-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-2-([[(3S,4aR,8aS)-2-benzoyldecahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
(2S)-3-(1H-imidazol-4-yl)-2-([[(1S,4aR,8aS)-1-[[methyl(prop-2-en-1-yl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)propanal
-
(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
-
(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
-
-
(R)-N-(E)-3',4',5'-trimethoxy-3-phenylprop-2-enoicserine(benzoyl)cyclohexylamide
IC50 value 0.5 mM for cathepsin B, not cytotoxic
(R)-N-cinnamoyl serine(benzoyl)cyclohexylamide
not inhibitory to cathepsin B at 1 mM, not cytotoxic
(S)-2-((((1S,3R,4aR,8aS)-1-((butyl(methyl)amino)methyl)octahydro-1H-isochromen-3-yl)methyl)amino)-3-(1H-imidazol-4-yl)propanal
-
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methyl-N-((S)-4-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)pentanamide
-
-
(S)-2-[([(3R,4aS,8aR)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
-
(S)-2-[([(3S,4aR,8aS)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
-
(S)-N-((S)-1-(((S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl)amino)-3-cyclohexyl-1-oxopropan-2-yl)-2-((S)-2-((S)-2-acetamido-3-hydroxypropanamido)propanamido)-3-methylbutanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(3,4-dimethoxyphenyl)acrylamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((E)-3-(4-methoxyphenyl)acrylamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-((S)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-3-methylbutanamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((2-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((3-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-((4-methoxyphenyl)amino)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(3-(dimethylamino)phenoxy)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-hydroxyphenoxy)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(3-(4-methoxyphenyl)propanamido)-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-cinnamamido-4-methylpentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-((S)-3-methyl-2-(2-phenoxyacetamido)butanamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenoxyacetamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-phenylacetamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-(pyridin-3-yl)propanamido)pentanamide
-
-
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(3-methylbutanamido)pentanamide
-
-
(S)-N-((S)-1-(bnzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-(2-(4-methoxyphenoxy)acetamido)-4-methylpentanamide
-
-
1,6-di(propan-2-yl)-N-(4-[[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
-
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
-
-
1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
-
-
1-(2-naphthylmethyl)isatin-5-carboxamide
-
-
1-(naphthalen-2-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxamide
-
-
1-butyl-N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1H-benzimidazol-2-amine
-
-
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-benzotriazole
-
-
1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
-
-
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1,5-dihydro-2H-pyrrol-2-one
-
competitive inhibitor, 61.36% inhibition at 0.1 mM
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
-
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
2',5'-dimethyl-3-(methylthio)-4'-nitro-5-(2-thienyl)-2'H-1,3'-bipyrazole-4-carbonitrile
-
-
2,2-difluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone
-
0.1 mM, 38% inhibition
2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
-
-
2,5-bis[[(benzyloxy)carbonyl]amino]-1,2,5,6-tetradeoxy-1,6-di-1H-indol-3-yl-L-iditol
-
-
2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone
-
-
2-(1H-benzotriazol-1-yl)-N-(biphenyl-4-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-N-[4-[(methylsulfonyl)amino]phenyl]acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-4-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
-
-
2-(3',4'-dihydroxyphenyl)-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 30.1% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-arabinosyl-4H-chromen-4-one
-
0.05 mM, 49.4% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 41.8% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-glucosyl-4H-chromen-4-one
-
0.05 mM, 57.5% inhibition
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-L-fucosyl-4H-chromen-4-one
-
0.05 mM, 57.4% inhibition
2-(3',4'-dihydroxyphenyl)-5-hydroxy-3,7-di(beta-D-galactosyl)-4H-chromen-4-one
-
0.05 mM, 53.0% inhibition
2-(3-chlorophenyl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 13% inhibition
2-(3-chlorophenyl)-2-fluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 15% inhibition
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
-
-
2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
-
-
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
-
-
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
-
-
2-(5-bromopyridin-3-yl)-1-[5-(4-chlorophenyl)furan-2-yl]ethanone
-
-
2-(5-bromopyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 21% inhibition
2-(5-chloropyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 27% inhibition
2-(5-chloropyridin-3-yl)-2-fluoro-1-(furan-2-yl)ethanone
-
0.1 mM, 14% inhibition
2-(benzylsulfanyl)-4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-(benzylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-([N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl]amino)-5-[[(2S,5S)-5-[[(benzyloxy)carbonyl]amino]-2-(1-methylethyl)-4-oxohexanoyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2-acetyl-3-(3-iodophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
-
-
2-fluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone
-
0.1 mM, 10% inhibition
2-methylpropyl (4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)carbamate
-
-
2-methylpropyl [4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]carbamate
-
-
2-phenyl-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
-
0.05 mM, 18.7% inhibition
2-phenylethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
-
-
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
2-[(2-acetylphenyl)sulfonyl]benzoic acid
-
-
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
-
0.01 mM, 30% inhibition
2-[(4-chlorophenyl)disulfanyl]-1,3,4-oxadiazole
reversible inhibition
2-[(4-chlorophenyl)disulfanyl]pyrimidine
reversible inhibition
2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
-
-
2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
-
-
3,4',5,7,8-pentahydroxyflavone
i.e. herbacetin, efficiently blocks the enzymatic activity, suggested to be a template to design functionally improved inhibitors
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
-
-
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
-
-
3-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-(1H-imidazol-1-yl)-4,5-dihydro-1H-pyrazole
-
-
3-(N-L-gamma-Glu-L-Ala)-1,1,1-trifluoropropan-2-one
-
-
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
-
-
3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
-
0.01 mM, 40% inhibition
3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
-
-
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
-
-
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-methoxyquinolin-2-(1H)one
-
-
3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
-
-
3-[N-(N-benzyloxycarbonyl-L-Leu)]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-(N-benzyloxycarbonyl-L-Phe)]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-(N-tert-butoxycarbonyl)-L-Leu]-1,1,1-trifluorobutan-2-one
-
-
3-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-[N-[N-decanoyl-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
-
-
3-{N-[N-tert-butoxycarbonyl-L-gamma-Glu(OtBu)-L-Ala]}-1,1,1-trifluoropropan-2-one
-
-
4,5-anhydro-2-([N-[(benzyloxy)carbonyl]-L-phenylalanyl]amino)-1,2-dideoxy-D-erythro-pent-3-ulose
-
-
4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
-
-
4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
-
-
4-((S)-2-((2S,3S)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamido)-4-methylpentanamido)-N,N-dimethyl-6-(5-nitro-1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-5-oxohexanamide
-
-
4-(3-nitrophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-chlorophenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methylphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(4-methylphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
-
-
4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine
-
competitive inhibitor, 58.23% inhibition at 0.1 mM
4-benzyloxy-3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
4-benzyloxy-3-[1-(4-ethoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
4-benzyloxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
4-hydroxy-3-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
4-hydroxy-3-[1-(4-methoxyphenyl)-1H-tetrazol-5-ylthio]quinolin-2-(1H)one
-
-
4-methoxy-6-[([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)methyl]-2H-pyran-2-one
-
-
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline
-
inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme
4-[(1H-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
-
4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
-
competitive inhibitor, 49.14% inhibition at 0.1 mM
4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
-
-
4-[(E)-[(2-methoxyphenyl)imino]methyl]-2-phenyl-1,3-oxazol-5-yl acetate
-
-
4-[(Z)-[1-(4-fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]benzoic acid
-
-
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
4-[2-(2-benzyloxycarbonylamino-3-tert-butoxy-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
5,7-dichloro-4-hydroxy-3-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1H-quinolin-2-one
-
-
5,7-dichloro-4-hydroxy-3-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl]quinolin-2(1H)-one
-
-
5,7-dihydroxy 4',6-dimethoxyflavone 7-rutinoside
i.e. pectolinarin, efficiently blocks the enzymatic activity, suggested to be a template to design functionally improved inhibitors
5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
-
-
5-(4-methylpiperidine-1-sulfonyl)-1-phenyl-1H-indole-2,3-dione
-
5-(4-methylpiperidine-1-sulfonyl)-1H-indole-2,3-dione
-
5-bromopyridin-3-yl thiophene-2-carboxylate
-
-
5-chloropyridin-3-yl (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
-
-
5-chloropyridin-3-yl 1-acetyl-1H-indole-4-carboxylate
-
-
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1-[(3-nitrophenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-2-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-4-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-5-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-6-carboxylate
-
-
5-chloropyridin-3-yl 1H-indole-7-carboxylate
-
-
5-chloropyridin-3-yl 2-nitrobenzoate
-
-
5-chloropyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
-
-
5-chloropyridin-3-yl 3-nitrobenzoate
-
-
5-chloropyridin-3-yl 4-chlorobenzoate
-
-
5-chloropyridin-3-yl 5-(2-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(3-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-chloro-2-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-chlorophenyl)-2-furoate
-
-
5-chloropyridin-3-yl 5-(4-nitrophenyl)-2-furoate
-
-
5-chloropyridin-3-yl thiophene-2-carboxylate
-
-
5-[(4-chlorophenyl)sulfonyl]pyrimidine-2,4-diamine
-
-
6-oxo-4-phenyl-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
-
-
acetyl-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-leucylalanyl-alanyl-ketomethyl(cycloglutamine)-phthalhydrazide
-
-
acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-Thr-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CHO
-
-
acetyl-valyl-(O-benzyloxy)threonyl-leucyl-ketomethyl(cycloglutamine)-phthalhydrazide
-
-
apigenin-7-O-rhamnoglucoside
i.e. rhoifolin, efficiently blocks the enzymatic activity, suggested to be a template to design functionally improved inhibitors
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
bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
-
-
Bz-Ala-Val-Leu-Phe-trifluromethyl ketone
-
-
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
-
-
DTT
-
80% of enzyme activity inhibited in the presence of 2.5 mM DTT
esculetin-4-carboxylic acid ethyl ester
-
a novel class of anti-SARS agents from the tropical marine sponge Axinella corrugata
ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-2-benzyl-6-methyl-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-5-[(N-tert-butyl-L-seryl)amino]-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl 3-((5S,8S)-2-(3-amino-3-oxopropyl)-5-benzyl-8-isobutyl-4,7,10-trioxo-12-phenyl-11-oxa-2,3,6,9-tetraazadodecan-1-oyl)oxirane-2-carboxylate
-
-
GC376
-
peptidomimetic antiviral drug. A single amino acid change of N25S, but not A252S or K260N, leads to a statistically significant increase in the IC50 value as compared to that of wild-typwe enzyme
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-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
-
-
N-(2-carbomethoxyethylthiophenyl)cinnamide
-
-
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-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide
-
-
N-(3-methoxyphenyl)glycyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N-(4-aminophenyl)-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-(4-methyl-2-[2-[(2S)-1-oxo-3-(thiophen-2-yl)propan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
N-(4-methyl-2-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-1,2-oxazole-5-carboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2,2-dimethylpropanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)-2-methylpropanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)benzamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclobutanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclohexanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)cyclopropanecarboxamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)propanamide
-
-
N-(4-[(1H-benzotriazol-1-ylacetyl)[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]amino]phenyl)thiophene-2-carboxamide
-
-
N-(furan-2-ylmethyl)-2-[[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl]acetamide
-
competitive inhibitor, 53.27% inhibition at 0.1 mM
N-acetyl-DSFDQ
micromolar inhibitor
N-acetyl-ESTLQ
micromolar inhibitor
N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-2-(4-bromobenzoyl)-3-([[(2S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl]amino]methyl)decahydroisoquinolin-4-yl]glycinamide
-
N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-3-([[(2S)-1,1-bis(ethylsulfanyl)-3-(1H-imidazol-4-yl)propan-2-yl]amino]methyl)-2-(4-bromobenzoyl)decahydroisoquinolin-4-yl]glycinamide
-
N-acetyl-NSFSQ
micromolar inhibitor
N-acetyl-NSTSQ
micromolar inhibitor
N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH=CHCOOEt
-
N-acetyl-Ser-Ala-Val-Leu-NHCH-(CH2CH2CON(CH3)2)-CHO
-
N-acetyl-Ser-Ala-Val-Leu-NHCH[CH2CH2CON(CH3)2]CH2CH2CH=CHCOOC2H5
-
N-ethyl-N-phenyldithiocarbamic acid zinc
-
-
N-tert-butyl-2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide
-
-
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
-
-
N-tert-butyl-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[2-(2-oxopyrrolidin-3-yl)ethyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[(1E)-3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
-
competitive inhibitor, 56.11% inhibition at 0.1 mM
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
-
-
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
-
competitive inhibitor, 81.43% inhibition at 0.1 mM
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
-
competitive inhibitor, 82.59% inhibition at 0.1 mM
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-leucinamide
-
-
N-[(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)carbonyl]-L-valyl-N-[(1S,2E)-4-ethoxy-1-[[(3S)-3-methyl-2-oxopyrrolidin-3-yl]methyl]-4-oxobut-2-en-1-yl]-L-phenylalaninamide
-
-
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide
-
inhibits the viral protease, thus preventing CVB3 genome replication
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide
-
inhibits the viral protease, thus preventing CVB3 genome replication
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
N-[2-(2-cyanocinnamoylthio)phenyl]-2-cyanocinnamide
-
-
N-[2-(2-pyridylmethylthio)phenyl]cinnamide
-
-
N-[2-(3-dimethylaminopropylthio)phenyl]-2-cyanocinnamide
-
-
N-[2-(3-pyridylmethylthio)phenyl]cinnamide
-
-
N-[3-(5-tert-butyl-2-methyl-3-furyl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
-
-
N-[4-(2-acetylpyridin-3-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
N-[4-(2-acetylpyrimidin-5-yl)phenyl]-2-(1H-benzotriazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
-
-
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-ethyl-1H-benzimidazol-2-amine
-
-
N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-propyl-1H-benzimidazol-2-amine
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzimidazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-3-yl)-2-oxoethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(1H-1,2,3-triazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-benzimidazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide
-
-
N-[4-(acetylamino)phenyl]-N-[2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]-2-[4-(trimethylsilyl)-1H-1,2,3-triazol-1-yl]acetamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2,2-dimethylpropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-2-methylpropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]-3-methoxypropanamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]benzamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclobutanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclohexanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
-
-
N-[4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]propanamide
-
-
N-[4-[(4-chlorophenyl)sulfonyl]-3-(methylthio)-1H-pyrazol-5-yl]thiophene-2-carboxamide
-
-
N-[[3-(dimethylamino)phenoxy]acetyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
NaCl
-
80% of enzyme activity inhibited in the presence of 100 mM NaCl
Nalpha-[(2E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-D-phenylalaninamide
-
NP-40
-
80% of enzyme activity inhibited in the presence of 0.1% NP-40
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
-
-
sulfonyldi-4,1-phenylene bis(2,3,3-trichloroacrylate)
-
-
tert-butyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
-
tert-butyl (3S)-3-[[(benzyloxy)carbonyl]amino]-5-bromo-4-oxopentanoate
-
potent and selective inhibitor
tert-butyl [1-[(2S)-1-([(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino)-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-1,2-dihydropyridin-3-yl]carbamate
tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
-
-
Val-Thr-Leu-Gln
tetrapeptide derived from the C-terminal portion of the enzyme, mutation of residue Phe in P2 position to Leu
Val-Thr-Phe-Gln
wild-type tetrapeptide derived from the C-terminal portion of the enzyme
Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole
-
-
zinc N-ethyl-N-phenyldithiocarbamate
-
-
[3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid
-
-
[benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,4-diylbis[carbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
[benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
-
tert-butyl [1-[(2S)-1-([(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino)-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-1,2-dihydropyridin-3-yl]carbamate
MN908947
-
tert-butyl [1-[(2S)-1-([(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino)-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-1,2-dihydropyridin-3-yl]carbamate
-
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
-
additional information
the fused ring structure of the decahydroisoquinolin functions as a scaffold for SARS 3CLpro inhibitors. Interactions take place at the S1 and S2 sites, as well as additional interactions at the N-substituent of the inhibitors
-
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
-
PEG6000
-
3fold activation in the presence of 10% (w/v) PEG6000
Sodium sulfate
-
1 M sodium sulfate stimulates activity
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
1.44
ATVRLQAGNAT
-
pH 7.3, room temperature
0.0245
Dabcyl-KTSAVLQSGFRKME-EDANS-amide
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.549
FYPKLQASQAW
-
pH 7.3, room temperature
0.046
GPFVDRQTAQAAGTDT-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
0.051
KVATVQSKMSD-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
0.039
N-methylanthranilyl-TSAVLQSGFRK(2,4-dinitrophenyl)
pH 7.5, 30°C
0.146
o-aminobenzoyl-TSAVLQSGFRY(NO2)G
-
-
1.94
PHTVLQAVGAC
-
pH 7.3, room temperature
0.583
SGVTFQGKFKK
-
pH 7.3, room temperature
61.9
SWTSAVLQSGFRKWA
-
HPLC-based cleavage assay, measurement of fluorescence emission at 353 nm
0.286
TFTRLQSLENV
-
pH 7.3, room temperature
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
0.005
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
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
0.01
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S139A
0.011
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
wild-type enzyme
0.011
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A
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)
0.013
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298L
0.013
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123A
0.013
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
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)
0.021
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
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)
0.03
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(301-306)
0.037
o-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299K
0.0186
SAVLQMGFRK
-
mutant enzyme T25G, at 37°C
0.0766
SAVLQMGFRK
-
wild type enzyme, at 37°C
0.0186
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
T25G mutant protein
0.0766
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
wild-type protein
0.68
Thr-Ser-Ala-Val-Leu-Gln-4-nitroanilide
-
mutant G11A/L141T/R298A/Q299A, pH 7.3, 37°C
0.98
Thr-Ser-Ala-Val-Leu-Gln-4-nitroanilide
-
wild-type, pH 7.3, 37°C
0.2226
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
wild-type protein
0.3534
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
E166A mutant protein
0.0338
TSAVLQSGFRK-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
1.15
TSAVLQSGFRK-NH2
-
pH 7.3, room temperature
0.03817
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
mutant enzyme Q189A
0.04938
[4-(4-dimethylaminophenylazo)benzoic acid]-KNSTLQSGLRKE-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid]
-
wild-type enzyme
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
3.29
ATVRLQAGNAT
-
pH 7.3, room temperature
1.57
FYPKLQASQAW
-
pH 7.3, room temperature
76
GPFVDRQTAQAAGTDT-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
455
KVATVQSKMSD-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
0.37
N-methylanthranilyl-TSAVLQSGFRK(2,4-dinitrophenyl)
pH 7.5, 30°C
0.38
o-aminobenzoyl-TSAVLQSGFRY(NO2)G
-
-
1.68
PHTVLQAVGAC
-
pH 7.3, room temperature
2.55
SGVTFQGKFKK
-
pH 7.3, room temperature
0.847
TFTRLQSLENV
-
pH 7.3, room temperature
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
-
0.00004
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(297-306)
0.00021
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A/Q299A
0.0006
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(298-306)
0.0007
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299A
0.001
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(299-306)
0.0017
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299N
0.0021
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q299K
0.0022
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme Q200E
0.0034
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298A
0.0048
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298L
0.0048
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S139A/Q299A
0.0069
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123a/R298A
0.017
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(300-306)
0.017
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme R298K
0.022
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(303-306)
0.025
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(301-306)
0.027
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(304-306)
0.03
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(302-306)
0.032
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
wild-type enzyme
0.033
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123A
0.033
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S139A
0.035
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme S123C
0.039
2-aminobenzoyl-TSAVLQSGFRK-2,4-dinitrophenyl amide
-
mutant enzyme DELTA(305-306)
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
1.6
SAVLQMGFRK
-
wild type enzyme, at 37°C
16.2
SAVLQMGFRK
-
mutant enzyme T25G, at 37°C
0.027
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
wild-type protein
0.27
Ser-Ala-Val-Leu-Gln-Met-Gly-Phe-Arg-Lys
-
T25G mutant protein
0.0015
Thr-Ser-Ala-Val-Leu-Gln-4-nitroanilide
-
mutant G11A/L141T/R298A/Q299A, pH 7.3, 37°C
0.11
Thr-Ser-Ala-Val-Leu-Gln-4-nitroanilide
-
wild-type, pH 7.3, 37°C
0.1
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
R298A mutant protein
0.31
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
E166A mutant protein
0.48
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
R298L mutant protein
0.63
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
wild-type protein
12.2
TSAVLQSGFRK-NH2
-
pH 7.3, room temperature
4753
TSAVLQSGFRK-NH2
-
pH 7.5, 37°C, mutant enzyme R188I
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)
0.53
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
SARS-CoV 3CLpro
0.877
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
E166A mutant protein
2.83
Thr-Ser-Ala-Val-Leu-Gln-p-nitroanilide
-
wild-type 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
0.00017
1-hydroxypyridine-2-thione zinc
-
-
0.0000229
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.0000123
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.0000075
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
-
0.061
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
-
0.0000138
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole
-
-
0.00034
2,5-bis[[(benzyloxy)carbonyl]amino]-1,2,5,6-tetradeoxy-1,6-di-1H-indol-3-yl-L-iditol
-
-
0.0000075
2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0006
2-([N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl]amino)-5-[[(2S,5S)-5-[[(benzyloxy)carbonyl]amino]-2-(1-methylethyl)-4-oxohexanoyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
0.0000195
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline
-
-
0.0022
4,5-anhydro-2-([N-[(benzyloxy)carbonyl]-L-phenylalanyl]amino)-1,2-dideoxy-D-erythro-pent-3-ulose
-
-
0.0000111
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
-
0.0000174
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline
-
-
0.0000121
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline
-
-
0.0111
4-[(1H-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
pH and temperature not specified in the publication
0.00226
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.00066
4-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.000058
4-[2-(2-benzyloxycarbonylamino-3-tert-butoxy-butyrylamino)-4-methyl-pentanoylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
-
-
0.000065
5-chloropyridin-3-yl 1H-indole-2-carboxylate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.029
benzyl ((2S,3R)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0025
benzyl ((S)-1-(((S)-1-(5-(2-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.052
benzyl ((S)-1-(((S)-1-(5-(4-methoxyphenyl)thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0012
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0016
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-1-oxohexan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00171
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0094
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00046
benzyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.037
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-(p-tolyl)thiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00066
benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-1-(5-phenylthiazol-2-yl)propan-2-yl)amino)pentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.000053 - 0.0006
benzyl (2S,3S)-3-tert-butoxy-1-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-ylamino)-1-oxobutan-2-ylcarbamate
0.000306
benzyl [(1S)-1-benzyl-3-chloro-2-oxopropyl]carbamate
-
-
0.00038
benzyl [(1S)-3-chloro-1-(4-fluorobenzyl)-2-oxopropyl]carbamate
-
-
0.000371
benzyl [(1S)-3-chloro-1-(naphthalen-2-ylmethyl)-2-oxopropyl]carbamate
-
-
0.0006
benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
-
0.159
benzyl [(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.0493
benzyl [(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.112
benzyl [(2S)-1-[[(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.614
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
-
0.462
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
-
-
0.000073
benzyl [(7S,8R,9R,10S)-8,9-dihydroxy-7,10-bis(1H-indol-3-ylmethyl)-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
-
0.0005
ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
-
8.7e-17
lopinavir
-
in silico binding studies
0.000512
methyl 3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-5-fluoro-4-oxopentanoate
-
-
0.000022
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-benzo[d]imidazole-2-carboxamide
-
pH and temperature not specified in the publication
0.000065
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00068
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-indole-3-carboxamide
-
pH and temperature not specified in the publication
0.0027
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
-
pH and temperature not specified in the publication
0.0075
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-3-ethyl-5-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000026
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-hydroxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00003
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isobutoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000048
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-isopropoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0000063
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000028
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-chloro-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.00016
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-hydroxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.000067
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0067
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.0027
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-5-oxopyrrolidine-2-carboxamide
-
pH and temperature not specified in the publication
0.00033
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-6-methoxy-1H-indole-2-carboxamide
-
pH and temperature not specified in the publication
0.014
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzofuran-2-carboxamide
-
pH and temperature not specified in the publication
0.0008
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)benzo[d]thiazole-2-carboxamide
-
pH and temperature not specified in the publication
0.00012
N-((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)indoline-2-carboxamide
-
pH and temperature not specified in the publication
0.00003
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
-
0.323
N-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00039
N-(3-methoxyphenyl)glycyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.04124
N-acetyl-DSFDQ
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.00827
N-acetyl-ESTLQ
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.04098
N-acetyl-NSFSQ
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.07273
N-acetyl-NSTSQ
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.001
N-ethyl-N-phenyldithiocarbamic acid zinc
-
-
0.0032
N-tert-butyl-2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.00224
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication
0.000038
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide
-
-
0.297
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.135
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.0452
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
0.0000041
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.0022
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
-
0.478
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
-
0.021
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.116
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
-
0.363
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.0341
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
0.000054
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide
-
-
0.000099
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
0.000058
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
-
2.1e-16
N-[3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl]-2-methylfuran-3-carboxamide
-
in silico binding studies
0.0000031
N-[[3-(dimethylamino)phenoxy]acetyl]-L-valyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-L-leucinamide
-
pH and temperature not specified in the publication
0.584
N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
-
6e-18
promazine
-
in silico binding studies
0.023
tert-butyl ((S)-1-(((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.0004
tert-butyl (3S)-3-[[(benzyloxy)carbonyl]amino]-5-bromo-4-oxopentanoate
-
-
0.000058
TG-0203770
-
in 10 mM MES, pH 6.5, and 25°C
0.000038
TG-0204998
-
in 10 mM MES, pH 6.5, and 25°C
0.000054
TG-0205221
-
in 10 mM MES, pH 6.5, and 25°C
0.000099
TG-0205486
-
in 10 mM MES, pH 6.5, and 25°C
0.0184
Val-Thr-Ala-Gln
pH 7.5, 30°C
0.0115
Val-Thr-Leu-Gln
pH 7.5, 30°C
0.126
Val-Thr-Phe-Gln
pH 7.5, 30°C
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
0.0071
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
pH and temperature not specified in the publication
0.005
(2E)-N-[2-[4-(dimethylamino)butyl]phenyl]-3-phenylprop-2-enamide
Severe acute respiratory syndrome-related coronavirus
-
pH and temperature not specified in the publication
0.44
(2S)-2-(8[(1R,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.78
(2S)-2-([(1R,3R,4aR,8aS)-1-8[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.26
(2S)-2-([[(1S,3R,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.095
(2S)-2-([[(1S,3S,4aR,8aS)-1[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methylamino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.42
(2S)-2-([[(1S,4aR,8aS)-1-[[benzyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.1
(2S)-2-([[(1S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.175
(2S)-2-([[(3R,4aS,8aR)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.057
(2S)-2-([[(3R,4aS,8aR)-2-(4-fluorophenyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.7, 37°C
0.24
(2S)-2-([[(3R,4aS,8aR)-2-([1,1'-biphenyl]-4-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.041
(2S)-2-([[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.063
(2S)-2-([[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.7, 37°C
0.057
(2S)-2-([[(3S,4aR,8aS)-2-(4-fluorobenzoyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.108
(2S)-2-([[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-5-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.7, 37°C
0.135
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-2-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.135
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-3-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.108
(2S)-2-([[(3S,4aR,8aS)-2-([1,1'-biphenyl]-4-carbonyl)decahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.068
(2S)-2-([[(3S,4aR,8aS)-2-benzoyldecahydroisoquinolin-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.42
(2S)-3-(1H-imidazol-4-yl)-2-([[(1S,4aR,8aS)-1-[[methyl(prop-2-en-1-yl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C, mutant enzyme R188I
0.0362
(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.065
(R)-N-(E)-3',4',5'-trimethoxy-3-phenylprop-2-enoicserine(benzoyl)cyclohexylamide
Severe acute respiratory syndrome-related coronavirus
pH 4.0, temperature not specified in the publication
0.03
(R)-N-cinnamoyl serine(benzoyl)cyclohexylamide
Severe acute respiratory syndrome-related coronavirus
pH 4.0, 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.215
(S)-2-[([(3R,4aS,8aR)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
0.276
(S)-2-[([(3S,4aR,8aS)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
Severe acute respiratory syndrome-related coronavirus
pH 7.5, 37°C
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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
enzyme mutant R188I, pH and temperature not specified in the publication
0.025
1,1'-sulfonylbis(4-nitrobenzene)
Severe acute respiratory syndrome-related coronavirus
-
-
0.043
1,6-di(propan-2-yl)-N-(4-[[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Severe acute respiratory syndrome-related coronavirus
mutant R188I, pH not specified in the publication, temperature not specified in the publication
0.00095
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
Severe acute respiratory syndrome-related coronavirus
-
-
0.00037
1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
Severe acute respiratory syndrome-related coronavirus
-
-
0.00037
1-(2-naphthylmethyl)isatin-5-carboxamide
Severe acute respiratory syndrome-related coronavirus
-
-
0.0081
1-butyl-N-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1H-benzimidazol-2-amine
Severe acute respiratory syndrome-related coronavirus
-
-
0.0002
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-benzotriazole
Severe acute respiratory syndrome-related coronavirus
-
-
0.012
1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.0003
2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
Severe acute respiratory syndrome-related coronavirus
-
-
0.000051
2-(1H-benzotriazol-1-yl)-N-(biphenyl-4-yl)-N-(thiophen-3-ylmethyl)acetamide
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.043
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-galactosyl-4H-chromen-4-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.049
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-D-glucosyl-4H-chromen-4-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.024
2-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-3-beta-L-fucosyl-4H-chromen-4-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.061
2-(3',4'-dihydroxyphenyl)-5-hydroxy-3,7-di(beta-D-galactosyl)-4H-chromen-4-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.04
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
Severe acute respiratory syndrome-related coronavirus
-
-
0.0043
2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
Severe acute respiratory syndrome-related coronavirus
-
-
0.075
2-(5-bromopyridin-3-yl)-1-(2-(4-chlorophenyl)oxazol-5-yl)ethanone
Severe acute respiratory syndrome-related coronavirus
-
-
-
0.057
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2,2-difluoroethanone
Severe acute respiratory syndrome-related coronavirus
-
-
-
0.028
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
Severe acute respiratory syndrome-related coronavirus
-
-
0.013
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
Severe acute respiratory syndrome-related coronavirus
-
-
0.013
2-(5-bromopyridin-3-yl)-1-[5-(4-chlorophenyl)furan-2-yl]ethanone
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.007
2-benzyl-2H-isoindole-4,7-dione
Severe acute respiratory syndrome-related coronavirus
-
-
0.0103
2-methylpropyl [4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl]carbamate
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.016
2-[(2-acetylphenyl)sulfonyl]benzoic acid
Severe acute respiratory syndrome-related coronavirus
-
-
0.0182
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Severe acute respiratory syndrome-related coronavirus
-
-
0.000516
2-[(4-chlorophenyl)disulfanyl]-1,3,4-oxadiazole
Severe acute respiratory syndrome-related coronavirus
pH 7.3, 37°C
0.000684
2-[(4-chlorophenyl)disulfanyl]pyrimidine
Severe acute respiratory syndrome-related coronavirus
pH 7.3, 37°C
0.015
2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
Severe acute respiratory syndrome-related coronavirus
-
-
0.0106
2-[(4-nitrobenzyl)sulfanyl]-4-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.0353
2-[(4-nitrobenzyl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.03317
3,4',5,7,8-pentahydroxyflavone
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 37°C
0.007
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.0025
3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.0025
3-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-(1H-imidazol-1-yl)-4,5-dihydro-1H-pyrazole
Severe acute respiratory syndrome-related coronavirus
-
-
0.05
3-(N-L-gamma-Glu-L-Ala)-1,1,1-trifluoropropan-2-one
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.016
3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.01
3-[1-(4-benzyloxyphenyl)-1H-tetrazol-5-ylthio]-4-hydroxyquinolin-2-(1H)one
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.02
3-[N-(N-benzyloxycarbonyl-L-Phe)]-4-phenyl-1,1,1-trifluorobutan-2-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.04
3-[N-(N-tert-butoxycarbonyl)-L-Leu]-1,1,1-trifluorobutan-2-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.01
3-[N-[N-benzyloxycarbonyl-L-Ala-L-Val-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.05
3-[N-[N-decanoyl-L-Leu]]-4-phenyl-1,1,1-trifluorobutan-2-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.04
3-[N-[N-tert-butoxycarbonyl-L-gamma-Glu(OtBu)-L-Ala]]-1,1,1-trifluoropropan-2-one
Severe acute respiratory syndrome-related coronavirus
-
-
0.013
4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.013
4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.0263
4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.0203
4-(4-methoxyphenyl)-6-oxo-2-[(2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Severe acute respiratory syndrome-related coronavirus
-
-
0.018
4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
Severe acute respiratory syndrome-related coronavirus
-
-
0.05835
4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
pH and temperature not specified in the publication
0.016
4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
Severe acute respiratory syndrome-related coronavirus
-
-
0.0033
4-[(E)-[(2-methoxyphenyl)imino]methyl]-2-phenyl-1,3-oxazol-5-yl acetate
Severe acute respiratory syndrome-related coronavirus
-
-
0.0068
4-[(Z)-[1-(4-fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]benzoic acid
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related 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
0.03778
5,7-dihydroxy 4',6-dimethoxyflavone 7-rutinoside
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 37°C
0.005
5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
Severe acute respiratory syndrome-related coronavirus
-
-
0.00104
5-(4-methylpiperidine-1-sulfonyl)-1-phenyl-1H-indole-2,3-dione
Severe acute respiratory syndrome-related coronavirus
pH and temperature not specified in the publication
0.00118
5-(4-methylpiperidine-1-sulfonyl)-1H-indole-2,3-dione
Severe acute respiratory syndrome-related coronavirus
pH and temperature not specified in the publication
0.0005
5-bromopyridin-3-yl thiophene-2-carboxylate
Severe acute respiratory syndrome-related 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
Severe acute respiratory syndrome-related coronavirus
-
-
0.00108
5-chloropyridin-3-yl 1-acetyl-1H-indole-4-carboxylate
Severe acute respiratory syndrome-related coronavirus
-
-
0.0004
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
Severe acute respiratory syndrome-related coronavirus
-
-
0.000124
5-chloropyridin-3-yl 1-naphthoate
Severe acute respiratory syndrome-related coronavirus
-
-
0.000089
5-chloropyridin-3-yl 1-[(3-nitrophenyl)sulfonyl]-1H-indole-5-carboxylate
Severe acute respiratory syndrome-related coronavirus
-
-
0.00037
5-chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
Severe acute respiratory syndrome-related coronavirus
-
-
0.00031
5-chloropyridin-3-yl 1H-indole-5-carboxylate
Severe acute respiratory syndrome-related coronavirus
-
-
0.00023
5-chloropyridin-3-yl 1H-indole-6-carboxylate
Severe acute respirator