Literature summary for 3.4.21.76 extracted from

Dou, D.; He, G.; Li, Y.; Lai, Z.; Wei, L.; Alliston, K.R.; Lushington, G.H.; Eichhorn, D.M.; Groutas, W.C.
Utilization of the 1,2,3,5-thiatriazolidin-3-one 1,1-dioxide scaffold in the design of potential inhibitors of human neutrophil proteinase 3 (2010), Bioorg. Med. Chem., 18, 1093-1102.

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Application

Application	Comment	Organism
drug development	further exploration of the S' subsites of Pr 3 may lead to the identification of highly selective, reversible competitive inhibitors of Pr 3 using a functionalized surrogate scaffold embellished with appropriate recognition elements	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
2,3-diethyl-5-([1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl]methyl)-1,2,3,5-thiatriazolidin-4-one 1,1-dioxide	0.00862 mM inhibits by ca. 14%	Homo sapiens
2,3-diethyl-5-[[1-(2-oxo-2-phenylethyl)-1H-1,2,3-triazol-4-yl]methyl]-1,2,3,5-thiatriazolidin-4-one 1,1-dioxide	0.00862 mM inhibits by ca. 10%, fits into the Pr 3 active site well and engages in multiple interactions with the enzyme	Homo sapiens
2,3-diethyl-5-[[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methyl]-1,2,3,5-thiatriazolidin-4-one 1,1-dioxide	0.00862 mM inhibits by ca. 8%	Homo sapiens
2-(2,3-diethyl-1,1-dioxido-4-oxo-1,2,3,5-thiatriazolidin-5-yl)-N-phenylacetamide	0.00862 mM inhibits by ca. 13%	Homo sapiens
2-(2,3-diethyl-1,1-dioxido-4-oxo-1,2,3,5-thiatriazolidin-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-3-phenylpropanamide	0.00862 mM inhibits by ca. 11%	Homo sapiens
2-(2,3-diethyl-1,1-dioxido-4-oxo-1,2,3,5-thiatriazolidin-5-yl)-N-[4-(morpholin-4-yl)phenyl]-3-phenylpropanamide	0.00862 mM inhibits by ca. 13%	Homo sapiens
N-(1,3-benzodioxol-5-yl)-2-(2,3-diethyl-1,1-dioxido-4-oxo-1,2,3,5-thiatriazolidin-5-yl)-3-phenylpropanamide	0.00862 mM inhibits by ca. 23%	Homo sapiens
[4-[(2,3-diethyl-1,1-dioxido-4-oxo-1,2,3,5-thiatriazolidin-5-yl)methyl]-1H-1,2,3-triazol-1-yl]acetic acid	0.00862 mM inhibits by ca. 11%	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
neutrophil	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
Boc-Ala-Ala-Nva-thiobenzyl ester + H2O	-	Homo sapiens	?	-	?

Synonyms

Synonyms	Comment	Organism
Pr 3	-	Homo sapiens
proteinase 3	-	Homo sapiens

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Release 2023.1 (January 2023)