Literature summary for 3.4.22.69 extracted from

Ryu, Y.B.; Park, S.J.; Kim, Y.M.; Lee, J.Y.; Seo, W.D.; Chang, J.S.; Park, K.H.; Rho, M.C.; Lee, W.S.
SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii (2010), Bioorg. Med. Chem. Lett., 20, 1873-1876.

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Inhibitors

Inhibitors	Comment	Organism	Structure
celastrol	competitive inhibitor	Severe acute respiratory syndrome-related coronavirus
curcumin	-	Severe acute respiratory syndrome-related coronavirus
dihydrocelastrol	-	Severe acute respiratory syndrome-related coronavirus
iguesterin	competitive inhibitor	Severe acute respiratory syndrome-related coronavirus
pristimerin	competitive inhibitor	Severe acute respiratory syndrome-related coronavirus
tingenone	competitive inhibitor	Severe acute respiratory syndrome-related coronavirus

Organism

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

Purification (Commentary)

Purification (Comment)	Organism
commercial preparation	Severe acute respiratory syndrome-related coronavirus

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
DABCYL-Lys-Asn-Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-Glu-EDANS + H2O	-	Severe acute respiratory syndrome-related coronavirus	DABCYL-Lys-Asn-Ser-Thr-Leu-Gln + Ser-Gly-Leu-Arg-Lys-Glu-EDANS	-	?

Synonyms

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

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0008	-	iguesterin	-	Severe acute respiratory syndrome-related coronavirus
0.0031	-	pristimerin	-	Severe acute respiratory syndrome-related coronavirus
0.004	-	tingenone	-	Severe acute respiratory syndrome-related coronavirus
0.0042	-	celastrol	-	Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0026	-	-	Severe acute respiratory syndrome-related coronavirus	iguesterin
0.0055	-	-	Severe acute respiratory syndrome-related coronavirus	pristimerin
0.0099	-	-	Severe acute respiratory syndrome-related coronavirus	tingenone
0.0103	-	-	Severe acute respiratory syndrome-related coronavirus	celastrol
0.0217	-	-	Severe acute respiratory syndrome-related coronavirus	dihydrocelastrol
0.0235	-	-	Severe acute respiratory syndrome-related coronavirus	curcumin

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Release 2023.1 (January 2023)