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Literature summary for 3.4.22.B80 extracted from

  • Shan, H.; Liu, J.; Shen, J.; Dai, J.; Xu, G.; Lu, K.; Han, C.; Wang, Y.; Xu, X.; Tong, Y.; Xiang, H.; Ai, Z.; Zhuang, G.; Hu, J.; Zhang, Z.; Li, Y.; Pan, L.; Tan, L.
    Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2 (2021), Cell Chem. Biol., 28, 855-865.e9 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.B80

Crystallization (Commentary)

Crystallization (Comment) Organism
crystallization of apo-form SCov-2 PLproC112S is set up in hanging-drop manner at 16°C Severe acute respiratory syndrome coronavirus 2

Inhibitors

Inhibitors Comment Organism Structure
4-methyl-N-[3-[([1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carbonyl]amino)methyl]phenyl]piperazine-1-carboxamide
-
 Severe acute respiratory syndrome coronavirus 2
N-([3-[(N,N-dimethylglycyl)amino]-5-fluorophenyl]methyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
-
 Severe acute respiratory syndrome coronavirus 2
N-[3-fluoro-5-[(1E)-3-[1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-y]]-3-oxoprop-1-en-1-yl]phenyl}-4-methylpiperazine-1-carboxamide
-
 Severe acute respiratory syndrome coronavirus 2

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.005
-
 7-hydroxy-3-carboxycoumarin-RLRGG-NH(CH2)4NH-DABCYL pH 7.8, temperature not specified in the publication Severe acute respiratory syndrome coronavirus 2
0.0155
-
 7-hydroxy-3-carboxycoumarin-RLRGG-K-DABCYL pH 7.8, temperature not specified in the publication Severe acute respiratory syndrome coronavirus 2

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0DTD1 SARS-CoV-2
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
7-hydroxy-3-carboxycoumarin-RLRGG-K-DABCYL + H2O
-
 Severe acute respiratory syndrome coronavirus 2 7-hydroxy-3-carboxycoumarin-RLRGG + K-DABCYL
-
 ?
7-hydroxy-3-carboxycoumarin-RLRGG-NH(CH2)4NH-DABCYL + H2O
-
 Severe acute respiratory syndrome coronavirus 2 7-hydroxy-3-carboxycoumarin-RLRGG + NH(CH2)4NH-DABCYL
-
 ?
Nsp1-Nsp2 protein + H2O cleavage site: ELNGG-/-A Severe acute respiratory syndrome coronavirus 2 ?
-
 ?
Nsp2-Nsp3 protein + H2O cleavage site: TLKGG-/-A Severe acute respiratory syndrome coronavirus 2 ?
-
 ?
Nsp3-Nsp4 protein + H2O cleavage site: ALKGG-/-K Severe acute respiratory syndrome coronavirus 2 ?
-
 ?

Synonyms

Synonyms Comment Organism
SARS-CoV-2 papain-like protease
-
 Severe acute respiratory syndrome coronavirus 2
SCoV2 PLpro
-
 Severe acute respiratory syndrome coronavirus 2

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00044
-
 20 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL Severe acute respiratory syndrome coronavirus 2 N-[3-fluoro-5-[(1E)-3-[1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-y]]-3-oxoprop-1-en-1-yl]phenyl}-4-methylpiperazine-1-carboxamide
0.0008
-
 22 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL Severe acute respiratory syndrome coronavirus 2 N-([3-[(N,N-dimethylglycyl)amino]-5-fluorophenyl]methyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
0.00082
-
 21 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL Severe acute respiratory syndrome coronavirus 2 4-methyl-N-[3-[([1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carbonyl]amino)methyl]phenyl]piperazine-1-carboxamide

General Information

General Information Comment Organism
drug target the enzyme represents a putative drug target for SCoV2 Severe acute respiratory syndrome coronavirus 2
physiological function the enzyme is indispensable for viral replication Severe acute respiratory syndrome coronavirus 2

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
0.026
-
 7-hydroxy-3-carboxycoumarin-RLRGG-K-DABCYL pH 7.8, temperature not specified in the publication Severe acute respiratory syndrome coronavirus 2
0.07
-
 7-hydroxy-3-carboxycoumarin-RLRGG-NH(CH2)4NH-DABCYL pH 7.8, temperature not specified in the publication Severe acute respiratory syndrome coronavirus 2