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Literature summary for 3.4.22.69 extracted from

  • Lai, L.; Han, X.; Chen, H.; Wei, P.; Huang, C.; Liu, S.; Fan, K.; Zhou, L.; Liu, Z.; Pei, J.; Liu, Y.
    Quaternary structure, substrate selectivity and inhibitor design for SARS 3C-like proteinase (2006), Curr. Pharm. Des., 12, 4555-4564.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(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
1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
-
Severe acute respiratory syndrome-related coronavirus
1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
-
Severe acute respiratory syndrome-related coronavirus
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
Severe acute respiratory syndrome-related coronavirus
2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
-
Severe acute respiratory syndrome-related coronavirus
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
-
Severe acute respiratory syndrome-related coronavirus
2-phenylethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
-
Severe acute respiratory syndrome-related coronavirus
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
5-chloropyridin-3-yl thiophene-2-carboxylate
-
Severe acute respiratory syndrome-related coronavirus
bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
-
Severe acute respiratory syndrome-related coronavirus
cinanserin
-
Severe acute respiratory syndrome-related coronavirus
Hexachlorophene
-
Severe acute respiratory syndrome-related coronavirus
methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
-
Severe acute respiratory syndrome-related coronavirus
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
Severe acute respiratory syndrome-related coronavirus
[benzene-1,4-diylbis[carbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
Severe acute respiratory syndrome-related coronavirus

Organism

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

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
AAVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus AAVLQ + SGF-NH2
-
?
ATVRLQAGNAT + H2O
-
Severe acute respiratory syndrome-related coronavirus ATVRLQ + AGNAT
-
?
AVLQS-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus AVLQ + L-serinamide
-
?
AVLQSE-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus AVLQ + Ser-Glu-NH2
-
?
AVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus AVLQ + SGF-NH2
-
?
FYPKLQASQAW + H2O
-
Severe acute respiratory syndrome-related coronavirus FYPKLQ + ASQAW
-
?
KVATVQSKMSD + H2O
-
Severe acute respiratory syndrome-related coronavirus KVATVQ + SKMSD
-
?
LAVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus LAVLQ + SGF-NH2
-
?
LQSG-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus Leu-Gln + Ser-Gly-NH2
-
?
NRATLQAIASE + H2O
-
Severe acute respiratory syndrome-related coronavirus NRATLQ + AIASE
-
?
NVATLQAENVT + H2O
-
Severe acute respiratory syndrome-related coronavirus NVATLQ + AENVT
-
?
PATVLQAVGAC + H2O
-
Severe acute respiratory syndrome-related coronavirus PATVLQ + AVGAC
-
?
REPLMQSADAS + H2O
-
Severe acute respiratory syndrome-related coronavirus REPLMQ + SADAS
-
?
SAALQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAALQ + SGF-NH2
-
?
SAKLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAKLQ + SGF-NH2
-
?
SALLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SALLQ + SGF-NH2
-
?
SATLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SATLQ + SGF-NH2
-
?
SAVAQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVAQ + SGF-NH2
-
?
SAVFQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVMQ + SGF-NH2
-
?
SAVIQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVIQ + SGF-NH2
-
?
SAVKLQNNELS + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVKLQ + NNELS
-
?
SAVLESGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLE + SGF-NH2
-
?
SAVLKSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLK + SGF-NH2
-
?
SAVLNSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLN + SGF-NH
-
?
SAVLQAGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLQ + AGF-NH2
-
?
SAVLQGGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLQ + GGF-NH2
-
?
SAVLQLGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLQ + LGF-NH2
-
?
SAVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLQ + SGF-NH2
-
?
SAVMQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVMQ + SGF-NH2
-
?
SAVRQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVRQ + SGF-NH2
-
?
SAVVQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVVQ + SGF-NH2
-
?
SGVTFQGKFKK + H2O
-
Severe acute respiratory syndrome-related coronavirus SGVTFQ + GKFKK
-
?
SLVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SLVLQ + SGF-NH2
-
?
STVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus STVLQ + SGF-NH2
-
?
SVVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus SVVLQ + SGF-NH2
-
?
TAVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus TAVLQ + SGF-NH2
-
?
TFTRLQSLENV + H2O
-
Severe acute respiratory syndrome-related coronavirus TFTRLQ + SLENV
-
?
TSAVLQSGFRK-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus TSAVLQ + SGFRK-NH2
-
?
TVKLQAGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus TVKLQ + AGF-NH2
-
?
TVTLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus TVTLQ + SGF-NH2
-
?
TVVLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus TVVLQ + SGF-NH2
-
?
VLQS-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus VLQ + L-serinamide
-
?
VLQSG-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus VLQ + Ser-Gly-NH2
-
?
VVTLQSGF-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus VVTLQ + SGF-NH2
-
?

Synonyms

Synonyms Comment Organism
SARS 3C-like proteinase
-
Severe acute respiratory syndrome-related coronavirus

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
wild-type enzyme Severe acute respiratory syndrome-related coronavirus
7.6
-
mutant enzyme C145S Severe acute respiratory syndrome-related coronavirus

pH Range

pH Minimum pH Maximum Comment Organism
6.3 9.3 pH 6.3: about 55% of maximal activity, pH 9.3: about 45% of maximal activity, mutant enzyme C145S Severe acute respiratory syndrome-related coronavirus
6.3 8.7 pH 6.3: about 55% of maximal activity, pH 8.7: about 45% of maximal activity, wild-type enzyme Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00003
-
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
Severe acute respiratory syndrome-related coronavirus
0.00004
-
[benzene-1,4-diylbis[carbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
Severe acute respiratory syndrome-related coronavirus
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
-
Severe acute respiratory syndrome-related coronavirus
0.0137
-
Hexachlorophene
-
Severe acute respiratory syndrome-related coronavirus
0.061
-
1-[bis(4-chlorophenyl)methyl]-3-[2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium
-
Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00006
-
-
Severe acute respiratory syndrome-related coronavirus N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
0.00037
-
-
Severe acute respiratory syndrome-related coronavirus 1-(2-naphthylmethyl)-2,3-dioxoindoline-5-carboxamide
0.0005
-
-
Severe acute respiratory syndrome-related coronavirus 5-chloropyridin-3-yl thiophene-2-carboxylate
0.0006
-
-
Severe acute respiratory syndrome-related coronavirus (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
0.00095
-
-
Severe acute respiratory syndrome-related coronavirus 1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
0.0025
-
-
Severe acute respiratory syndrome-related coronavirus 2-phenylethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
0.0026
-
-
Severe acute respiratory syndrome-related coronavirus bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
0.0043
-
-
Severe acute respiratory syndrome-related coronavirus 2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
0.007
-
-
Severe acute respiratory syndrome-related coronavirus 3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
0.007
-
-
Severe acute respiratory syndrome-related coronavirus methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate