Literature summary for 3.4.23.39 extracted from

Luksch, T.; Blum, A.; Klee, N.; Diederich, W.E.; Sotriffer, C.A.; Klebe, G.
Pyrrolidine derivatives as plasmepsin inhibitors: binding mode analysis assisted by molecular dynamics simulations of a highly flexible protein (2010), ChemMedChem, 5, 443-454.

Search for more literature for 3.4.23.39

Inhibitors

Inhibitors	Comment	Organism	Structure
(3S,4S)-pyrrolidine-3,4-diyl bis(3,3-dimethylbutanoate)	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl bis(3-methylbutanoate)	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-2-ylacetate)	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl bis(phenylacetate)	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl dibenzoate	-	Plasmodium falciparum
(3S,4S)-pyrrolidine-3,4-diyl dicyclohexanecarboxylate	-	Plasmodium falciparum
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-phenylacetamide)	-	Plasmodium falciparum
N-benzyl-2-bromo-N-[(4-[[2-(2,4-dichlorophenyl)ethyl](4-phenylbutanoyl)amino]pyrrolidin-3-yl)methyl]-4,5-dimethoxybenzamide	-	Plasmodium falciparum
N-benzyl-2-bromo-N-[(4-[[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino]pyrrolidin-3-yl)methyl]-4,5-dimethoxybenzamide	-	Plasmodium falciparum

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.063	-	Abz-Thr-Ile-Nle-(4-nitro)Phe-Gln-Arg-NH2	pH 4.5, temperature not specified in the publication	Plasmodium falciparum

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	P46925	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
Abz-Thr-Ile-Nle-(4-nitro)Phe-Gln-Arg-NH2 + H2O	-	Plasmodium falciparum	Abz-Thr-Ile-Nle + (4-nitro)Phe-Gln-Arg-NH2	-	?

Synonyms

Synonyms	Comment	Organism
PLm II	-	Plasmodium falciparum

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
4.5	-	assay at	Plasmodium falciparum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0001	-	(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.00043	-	N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-phenylacetamide)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.0005	-	N-benzyl-2-bromo-N-[(4-[[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino]pyrrolidin-3-yl)methyl]-4,5-dimethoxybenzamide	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.00063	-	N-benzyl-2-bromo-N-[(4-[[2-(2,4-dichlorophenyl)ethyl](4-phenylbutanoyl)amino]pyrrolidin-3-yl)methyl]-4,5-dimethoxybenzamide	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.001	-	(3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-2-ylacetate)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.0114	-	(3S,4S)-pyrrolidine-3,4-diyl bis(phenylacetate)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.019	-	(3S,4S)-pyrrolidine-3,4-diyl dibenzoate	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.0472	-	(3S,4S)-pyrrolidine-3,4-diyl bis(3,3-dimethylbutanoate)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.0512	-	(3S,4S)-pyrrolidine-3,4-diyl bis(3-methylbutanoate)	pH 4.5, temperature not specified in the publication	Plasmodium falciparum
0.163	-	(3S,4S)-pyrrolidine-3,4-diyl dicyclohexanecarboxylate	pH 4.5, temperature not specified in the publication	Plasmodium falciparum

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Release 2023.1 (January 2023)