Literature summary for 1.8.1.12 extracted from

Garrard, E.A.; Borman, E.C.; Cook, B.N.; Pike, E.J.; Alberg, D.G.
Inhibition of trypanothione reductase by substrate analogues (2000), Org. Lett., 2, 3639-3642.

Search for more literature for 1.8.1.12

Activating Compound

Activating Compound	Comment	Organism	Structure
additional information	activity is dependent on a redox-active cysteine at the active centre	Trypanosoma cruzi

Inhibitors

Inhibitors	Comment	Organism	Structure
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester	-	Trypanosoma cruzi
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester	-	Trypanosoma cruzi
additional information	antiparasitic drugs designed using three-dimensional structure	Trypanosoma cruzi
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester	-	Trypanosoma cruzi
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester	-	Trypanosoma cruzi

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma cruzi	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
trypanothione disulfide + NADPH	-	Trypanosoma cruzi	trypanothione + NADP+	-	r

Cofactor

Cofactor	Comment	Organism	Structure
FAD	-	Trypanosoma cruzi
NADPH	-	Trypanosoma cruzi

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.03	-	(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester	-	Trypanosoma cruzi
0.048	-	(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester	-	Trypanosoma cruzi
0.074	-	[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester	-	Trypanosoma cruzi
0.091	-	[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester	-	Trypanosoma cruzi

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Release 2023.1 (January 2023)