Literature summary for 3.6.1.23 extracted from

Nguyen, C.; Ruda, G.F.; Schipani, A.; Kasinathan, G.; Leal, I.; Musso-Buendia, A.; Kaiser, M.; Brun, R.; Ruiz-Perez, L.M.; Sahlberg, B.L.; Johansson, N.G.; Gonzalez-Pacanowska, D.; Gilbert, I.H.
Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase (2006), J. Med. Chem., 49, 4183-4195.

Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Homo sapiens
expression in Escherichia coli	Plasmodium falciparum

Inhibitors

Inhibitors	Comment	Organism
1-(3-tert-butyldimethylsilyloxypropyl)uracil	-	Homo sapiens
1-(3-tert-butyldimethylsilyloxypropyl)uracil	-	Plasmodium falciparum
1-(3-triphenylsilyloxypropyl)uracil	-	Homo sapiens
1-(3-triphenylsilyloxypropyl)uracil	-	Plasmodium falciparum
1-(3-tritylaminopropyl)uracil	-	Homo sapiens
1-(3-tritylaminopropyl)uracil	-	Plasmodium falciparum
1-(3-trityloxypropyl)uracil	-	Homo sapiens
1-(3-trityloxypropyl)uracil	-	Plasmodium falciparum
1-(5-triphenylsilyloxypentyl)uracil	-	Homo sapiens
1-(5-triphenylsilyloxypentyl)uracil	-	Plasmodium falciparum
1-(5-tritylaminopentyl)uracil	-	Homo sapiens
1-(5-tritylaminopentyl)uracil	-	Plasmodium falciparum
1-(5-trityloxypentyl)uracil	-	Homo sapiens
1-(5-trityloxypentyl)uracil	-	Plasmodium falciparum
1-[(E)-4-trityloxy-2-butenyl]uracil	-	Homo sapiens
1-[(E)-4-trityloxy-2-butenyl]uracil	-	Plasmodium falciparum
1-[(Z)-4-trityloxy-2-butenyl]uracil	-	Homo sapiens
1-[(Z)-4-trityloxy-2-butenyl]uracil	-	Plasmodium falciparum
1-[2-(azidomethyl)-4-(trityloxy)butyl]uracil	-	Homo sapiens
1-[2-(azidomethyl)-4-(trityloxy)butyl]uracil	-	Plasmodium falciparum
1-[2-(hydroxymethyl)-4-(trityloxy)butyl]uracil	-	Homo sapiens
1-[2-(hydroxymethyl)-4-(trityloxy)butyl]uracil	-	Plasmodium falciparum
1-[2-(trityloxy)ethoxymethyl]uracil	-	Homo sapiens
1-[2-(trityloxy)ethoxymethyl]uracil	-	Plasmodium falciparum
1-[4-(tert-butoxycarbonylamino)-3-(trityloxymethyl)butyl]uracil	-	Homo sapiens
1-[4-(tert-butoxycarbonylamino)-3-(trityloxymethyl)butyl]uracil	-	Plasmodium falciparum
1-[4-acetoxy-3-(tritylaminomethyl)butyl]uracil	-	Homo sapiens
1-[4-acetoxy-3-(tritylaminomethyl)butyl]uracil	-	Plasmodium falciparum
1-[4-hydroxy-2-(trityloxymethyl)butyl]uracil	-	Homo sapiens
1-[4-hydroxy-2-(trityloxymethyl)butyl]uracil	-	Plasmodium falciparum
1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil	-	Homo sapiens
1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil	-	Plasmodium falciparum
additional information	growth inhibition potency in vitro, overview, molecular docking modeling study	Plasmodium falciparum

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	-	Homo sapiens
Mg2+	-	Plasmodium falciparum

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
dUTP + H2O	Homo sapiens	-	dUMP + diphosphate	-	?
dUTP + H2O	Plasmodium falciparum	-	dUMP + diphosphate	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-
Plasmodium falciparum	-	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant enzyme from Escherichia coli by phosphocellulose chromatography and gel filtration to near homogeneity	Homo sapiens
recombinant enzyme from Escherichia coli by phosphocellulose chromatography and gel filtration to near homogeneity	Plasmodium falciparum

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
dUTP + H2O	-	Homo sapiens	dUMP + diphosphate	-	?
dUTP + H2O	-	Plasmodium falciparum	dUMP + diphosphate	-	?

Synonyms

Synonyms	Comment	Organism
dUTPase	-	Homo sapiens
dUTPase	-	Plasmodium falciparum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.0002	-	1-(3-tritylaminopropyl)uracil	-	Plasmodium falciparum
0.00024	-	1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil	-	Plasmodium falciparum
0.0006	-	1-[(E)-4-trityloxy-2-butenyl]uracil	-	Plasmodium falciparum
0.0007	-	1-[2-(trityloxy)ethoxymethyl]uracil	-	Plasmodium falciparum
0.0009	-	1-[4-hydroxy-2-(trityloxymethyl)butyl]uracil	-	Plasmodium falciparum
0.0012	-	1-[(Z)-4-trityloxy-2-butenyl]uracil	-	Plasmodium falciparum
0.0013	-	1-[4-acetoxy-3-(tritylaminomethyl)butyl]uracil	-	Plasmodium falciparum
0.0014	-	1-(3-tritylaminopropyl)uracil	-	Homo sapiens
0.0016	-	1-(3-triphenylsilyloxypropyl)uracil	-	Plasmodium falciparum
0.002	-	1-(5-trityloxypentyl)uracil	-	Plasmodium falciparum
0.0022	-	1-[2-(hydroxymethyl)-4-(trityloxy)butyl]uracil	-	Plasmodium falciparum
0.0025	-	1-[4-(tert-butoxycarbonylamino)-3-(trityloxymethyl)butyl]uracil	-	Plasmodium falciparum
0.0038	-	1-(5-triphenylsilyloxypentyl)uracil	-	Plasmodium falciparum
0.0043	-	1-(5-tritylaminopentyl)uracil	-	Plasmodium falciparum
0.0052	-	1-[(Z)-4-trityloxy-2-butenyl]uracil	-	Homo sapiens
0.0057	-	1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil	-	Homo sapiens
0.017	-	1-[2-(trityloxy)ethoxymethyl]uracil	-	Homo sapiens
0.021	-	1-[4-hydroxy-2-(trityloxymethyl)butyl]uracil	-	Homo sapiens
0.023	-	1-[2-(azidomethyl)-4-(trityloxy)butyl]uracil	-	Plasmodium falciparum
0.025	-	1-(3-triphenylsilyloxypropyl)uracil	-	Homo sapiens
0.073	-	1-(3-tert-butyldimethylsilyloxypropyl)uracil	-	Homo sapiens
0.073	-	1-(3-tert-butyldimethylsilyloxypropyl)uracil	-	Plasmodium falciparum
0.074	-	1-[4-acetoxy-3-(tritylaminomethyl)butyl]uracil	-	Homo sapiens
0.087	-	1-(3-trityloxypropyl)uracil	-	Plasmodium falciparum
0.26	-	1-[2-(hydroxymethyl)-4-(trityloxy)butyl]uracil	-	Homo sapiens
0.313	-	1-(3-trityloxypropyl)uracil	-	Homo sapiens
1	-	1-(5-trityloxypentyl)uracil	above	Homo sapiens
1	-	1-(5-tritylaminopentyl)uracil	above	Homo sapiens
1	-	1-(5-triphenylsilyloxypentyl)uracil	above	Homo sapiens
1	-	1-[(E)-4-trityloxy-2-butenyl]uracil	above	Homo sapiens
1	-	1-[4-(tert-butoxycarbonylamino)-3-(trityloxymethyl)butyl]uracil	above	Homo sapiens
1	-	1-[2-(azidomethyl)-4-(trityloxy)butyl]uracil	above	Homo sapiens