Literature summary for 3.4.22.B69 extracted from

Huang, H.; Lu, W.; Li, X.; Cong, X.; Ma, H.; Liu, X.; Zhang, Y.; Che, P.; Ma, R.; Li, H.; Shen, X.; Jiang, H.; Huang, J.; Zhu, J.
Design and synthesis of small molecular dual inhibitor of falcipain-2 and dihydrofolate reductase as antimalarial agent (2012), Bioorg. Med. Chem. Lett., 22, 958-962.

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Inhibitors

Inhibitors	Comment	Organism	Structure
3-[4-(benzylsulfamoyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide	less than 5% inhibition at 0.01 mM	Plasmodium falciparum
3-[4-[(2-phenylethyl)sulfamoyl]phenyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide	94.5% inhibition at 0.01 mM	Plasmodium falciparum
3-[4-[(2-phenylethyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)propanamide	10.7% inhibition at 0.01 mM	Plasmodium falciparum
3-[4-[(2-phenylethyl)sulfamoyl]phenyl]-N-(thiophen-2-ylmethyl)propanamide	15.2% inhibition at 0.01 mM	Plasmodium falciparum
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide	32.7% inhibition at 0.01 mM	Plasmodium falciparum
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide	45.1% inhibition at 0.01 mM	Plasmodium falciparum
E-64	97.4% inhibition at 0.01 mM	Plasmodium falciparum
additional information	not inhibited by pyrimethamine	Plasmodium falciparum
N-(1,3-benzothiazol-2-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide	41.5% inhibition at 0.01 mM	Plasmodium falciparum
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(2-phenylethyl)sulfamoyl]phenyl]acetamide	less than 5% inhibition at 0.01 mM	Plasmodium falciparum
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide	23% inhibition at 0.01 mM	Plasmodium falciparum
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]propanamide	6.3% inhibition at 0.01 mM	Plasmodium falciparum
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]propanamide	17.9% inhibition at 0.01 mM	Plasmodium falciparum
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-phenylethyl)sulfamoyl]benzamide	less than 5% inhibition at 0.01 mM	Plasmodium falciparum
N-(3,4-dimethoxyphenyl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide	15% inhibition at 0.01 mM	Plasmodium falciparum
N-(3-hydroxy-4-methoxyphenyl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide	13.6% inhibition at 0.01 mM	Plasmodium falciparum
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide	46.5% inhibition at 0.01 mM	Plasmodium falciparum
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide	72.9% inhibition at 0.01 mM	Plasmodium falciparum

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
N-benzyloxycarbonyl-Leu-Arg 7-amido-4-methylcoumarin + H2O	-	Plasmodium falciparum	N-benzyloxycarbonyl-Leu-Arg + 7-amino-4-methylcoumarin	-	?

Synonyms

Synonyms	Comment	Organism
FP-2	-	Plasmodium falciparum

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000017	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	E-64
0.0027	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	3-[4-[(2-phenylethyl)sulfamoyl]phenyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
0.007	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
0.0081	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide
0.0089	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	N-(1,3-benzothiazol-2-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide
0.0098	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
0.0132	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
0.0542	-	in 100 mM sodium acetate, pH 5.5, 10 mM dithiothreitol, at 22°C	Plasmodium falciparum	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(2-phenylethyl)sulfamoyl]phenyl]propanamide

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Release 2023.1 (January 2023)