Literature summary for 3.4.22.69 extracted from

Thanigaimalai, P.; Konno, S.; Yamamoto, T.; Koiwai, Y.; Taguchi, A.; Takayama, K.; Yakushiji, F.; Akaji, K.; Kiso, Y.; Kawasaki, Y.; Chen, S.E.; Naser-Tavakolian, A.; Schoen, A.; Freire, E.; Hayashi, Y.
Design, synthesis, and biological evaluation of novel dipeptide-type SARS-CoV 3CL protease inhibitors: structure-activity relationship study (2013), Eur. J. Med. Chem., 65, 436-447.

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Inhibitors

Inhibitors	Comment	Organism
(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
(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
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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
(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
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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
(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	-	Severe acute respiratory syndrome-related coronavirus
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-cinnamamido-4-methylpentanamide	-	Severe acute respiratory syndrome-related coronavirus
(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
(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
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
(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	-	Severe acute respiratory syndrome-related coronavirus
1-(naphthalen-2-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxamide	-	Severe acute respiratory syndrome-related coronavirus
2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone	-	Severe acute respiratory syndrome-related coronavirus
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
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
4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile	-	Severe acute respiratory syndrome-related coronavirus
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
5-chloropyridin-3-yl 1H-indole-2-carboxylate	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
Bz-Ala-Val-Leu-Phe-trifluromethyl ketone	-	Severe acute respiratory syndrome-related coronavirus
Bz-Val-Asn-Ser-Thr-Leu-Gln-CMK	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
additional information	design, synthesis, and biological evaluation of dipeptide-type enzyme inhibitors, docking and structure-activity relationship studie, overview	Severe acute respiratory syndrome-related coronavirus
N-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide	-	Severe acute respiratory syndrome-related coronavirus
N-tert-butyl-2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide	-	Severe acute respiratory syndrome-related coronavirus
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	-	Severe acute respiratory syndrome-related coronavirus
Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole	-	Severe acute respiratory syndrome-related coronavirus

Organism

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

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O	-	Severe acute respiratory syndrome-related coronavirus	Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-NH2	-	?

Synonyms

Synonyms	Comment	Organism
SARS-CoV 3CL protease	-	Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
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	Severe acute respiratory syndrome-related coronavirus
0.0000041	-	Z-Val-Leu-Ala(-pyrrolidone-3-yl)-2-benzothiazole	pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
0.0000075	-	2-(1H-benzotriazol-1-yl)-1-(1H-indol-5-yl)ethanone	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus
0.000065	-	5-chloropyridin-3-yl 1H-indole-2-carboxylate	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
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	Severe acute respiratory syndrome-related coronavirus
0.323	-	N-(2-[[3-(dimethylamino)propyl]sulfanyl]phenyl)-3-phenylpropanamide	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.000065	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.0006	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	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
0.00066	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.0017	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.0022	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	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
0.0061	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	4-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
0.0068	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	4-[(Z)-[1-(4-fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]benzoic acid
0.01	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	Bz-Ala-Val-Leu-Phe-trifluromethyl ketone
0.01	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.014	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.0172	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	3-benzyl-1-[(6,7-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
0.021	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	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
0.024	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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
0.043	-	enzyme mutant R188I, pH and temperature not specified in the publication	Severe acute respiratory syndrome-related coronavirus	(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