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Information on EC 1.8.1.12 - trypanothione-disulfide reductase
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1.8.1.12 trypanothione-disulfide reductaseIUBMB Comments
Trypanothione disulfide is the oxidized form of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. The enzyme from Crithidia fasciculata is a flavoprotein (FAD), whose activity is dependent on a redox-active cystine at the active centre. (cf. EC 1.8.1.7, glutathione-disulfide reductase)
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Word Map
- 1.8.1.12
- trypanosoma
- cruzi
- leishmania
-
trypanosomatids
- chagas
- brucei
- leishmaniasis
-
trypanocidal
- donovani
-
antileishmanial
- promastigotes
- trypanosomiasis
- crithidia
- fasciculata
- infantum
-
antitrypanosomal
-
antiparasitic
- amastigotes
-
flavoenzyme
- medicine
- tryparedoxin
- epimastigotes
- phenothiazine
- nifurtimox
- trypomastigotes
-
antimonial
-
n1,n8-bisglutathionylspermidine
- kinetoplastida
- miltefosine
- congolense
-
leishmanicidal
- rhodesiense
- benznidazole
-
antiprotozoal
- amazonensis
- clomipramine
- glutathionylspermidine
-
antichagasic
- thioridazine
-
nitrofuran
-
diaryl
- ts2
- pharmacology
-
trypanothione-dependent
-
ovothiols
The enzyme appears in viruses and cellular organisms
Synonyms
EC 1.6.4.8, N(1),N(8)-bis(glutathionyl)spermidine reductase, NADPH2:trypanothione oxidoreductase, TCDM_11669, TPR, TR, trypanothione disulfide reductase, trypanothione reductase, trypanothione-disulfide reductase, TryR, 
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SYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
EC 1.6.4.8
N(1),N(8)-bis(glutathionyl)spermidine reductase
-
-
-
-
NADPH2:trypanothione oxidoreductase
-
-
-
-
TCDM_11669
TR
trypanothione disulfide reductase
-
-
-
-
trypanothione reductase
trypanothione-disulfide reductase
TryR
EC 1.6.4.8
-
-
formerly
-
TR
-
-
trypanothione reductase
-
-
-
-
trypanothione reductase
-
-
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
; trypanothione disulfide is the oxidized form of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. The enzyme from Crithidia fasciculata is a flavoprotein (FAD), whose activity is dependent on a redox-active cystine at the active centre.
-
-
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic scheme for NAD(P)H:disulfide oxidoreductases
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
mechanistic reaction scheme, structure-function relation
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
hydride ion transfer reaction of the pro-S-hydrogen of NADPH to N5 of FAD, redox potentials
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
substrate binding mechanism, complex structure analysis, protease-like catalytic triade and electronic induced fit
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
neither the alpha-carboxy nor the alpha-amino function of the L-gamma-glutamyl group is essential for activity, can be replaced by uncharged benzyloxycarbonyl or tert-butyloxycarbonyl groups
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
substrate binding structure, structural model
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
molecular modeling of inhibitor binding using X-ray data
-
trypanothione + NADP+ = trypanothione disulfide + NADPH + H+
reducing catalytic site CVNVGC
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
oxidation
-
-
-
-
redox reaction
-
-
-
-
reduction
-
-
-
-
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PATHWAY SOURCE
PATHWAYS
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SYSTEMATIC NAME
IUBMB Comments
trypanothione:NADP+ oxidoreductase
Trypanothione disulfide is the oxidized form of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. The enzyme from Crithidia fasciculata is a flavoprotein (FAD), whose activity is dependent on a redox-active cystine at the active centre. (cf. EC 1.8.1.7, glutathione-disulfide reductase)
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CAS REGISTRY NUMBER
COMMENTARY
102210-35-5
-
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
4-aminobutyryl-L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 N-(4-aminobutanoyl)-L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
ajoene + NADPH
?
-
i.e. (E,Z)-4,5,9-trithiadodeca-1,6,11-triene-9-oxide, substrate and inhibitor
-
-
?
L-beta-aspartyl-L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 L-beta-aspartyl-L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
L-gamma-glutamyl-L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 L-gamma-glutamyl-L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
N-benzyloxycarbonyl-L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 N-[(benzyloxy)carbonyl]-L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
tert-butyloxycarbonyl-L-cysteinylglycyl-3-dimethylaminopropylamide disulfide + NADPH + H+
2 N-(tert-butoxycarbonyl)-L-cysteinyl-N-[3-(dimethylamino)propyl]glycinamide + NADP+
-
substrate analogue
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
trypanothione disulfide + beta-thio-NADPH
trypanothione + beta-thio-NADP+
-
wild-type and mutant enzymes
-
-
?
trypanothione disulfide + reduced 3-acetylpyridine adenine dinucleotide
trypanothione + oxidized 3-acetylpyridine adenine dinucleotide
-
wild-type and mutant enzymes
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
?
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
-
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
r
glutathionylspermidine disulfide + NADPH
2-glutathionylspermidine + NADP+
-
-
-
-
-
NADPH + trypanothione disulfide + H+
trypanothione + NADP+
-
100 microM NADPH, 105 or 93 microM trypanothione disulfide, pH 7.5, 25°C
-
-
?
NADPH + trypanothione disulfide + H+
trypanothione + NADP+
-
100 microM NADPH, 105 or 93 microM trypanothione disulfide, pH 7.5, 25°C
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
novel inhibitors are identified
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
-
-
-
?
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)
trypanothione disulfide + thionitrobenzoate
-
inhibitors are tested using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
parasite soluble fraction
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
parasite soluble fraction
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
high-throughput screening campaign of a library of 100000 lead-like compounds identified 2-iminobenzimidazoles as a novel class of trypanothione reductase inhibitors
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
-
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
theoretical docking study, energy and structural output analysis is conducted on 72 nitrofuran derivatives in order to search for new and improved trypanothione reductase inhibitors
-
-
?
trypanothione + NADP+
trypanothione disulfide + NADPH + H+
-
using the recombinant enzyme
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
protection against oxidative stress
-
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
recombinant glutathione-trypanothione reductase-like enzyme
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
scheme for trypanothione-dependent H2O2 metabolism
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
metabolizes H2O2, recombinant and wild-type cells
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
trypanothione is the oxidized form of N1,N8-bis-(glutathionyl)spermidine, the latter form a stable adduct with melarsen oxide
-
r
trypanothione disulfide + NADPH
trypanothione + NADP+
-
physiological function is to protect the organism from oxidative stress and to assist in maintaining low intracellular levels of hydrogen peroxide
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
kex enzyme in the tryanothione-based redox metabolism of pathogenic trypanosomes
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
i.e. bisglutathionylspermidine
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
-
-
-
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
ir
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
highly specific for trypanothione disulfide
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
additional information
?
-
-
naphthoquinones and nitrofuran derivatives are reduced, inhibition of the enzyme
-
-
-
additional information
?
-
-
reduces several trypanothione derivatives, e.g. N1-monoglutathionylspermidine, mixed disulfide of N1-monoglutathionylspermidine and glutathione
-
-
-
additional information
?
-
-
glutaryl-L-cysteinylglycyl-3-methylaminopropylamide disulfide is no substrate
-
-
-
additional information
?
-
-
enzyme is associated with infective capacity of the parasite
-
-
-
additional information
?
-
no activity with oxidized glutathione of the recombinant enzyme
-
-
-
additional information
?
-
no activity with oxidized glutathione of the recombinant enzyme
-
-
-
additional information
?
-
-
the rate of reduction of 0.05 mM glutathione disulfide is 0.03% of that obtained with 0.05 mM trypanothione disulfide
-
-
-
additional information
?
-
-
naphthoquinones and nitrofuran derivatives are reduced, inhibition of the enzyme
-
-
-
additional information
?
-
serve as subversive substrates in redox cycling activity: 3,3'-[polyaminobis(carbonylalkyl)]bis(1,4-naphthoquinone) derivatives, inhibitory and substrate activity depending on spacer length
-
-
-
additional information
?
-
-
chinifur increases the oxidation of the enzyme 40fold
-
-
-
additional information
?
-
-
wild-type enzyme shows transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
reduces 5,5'-dithiobis(2-nitrobenzamides)
-
-
-
additional information
?
-
-
recombinant mutants C53S, C53A, C58S: no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
reduces inhibitory nitrofurans, e.g. chinifur, nifuroxamide, nifuroxime and nifurprazine, and naphthoqinone derivatives
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular environment
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular redox equilibrium, trypanosomes lacking the enzyme are avirulent and show increased sensitivity to oxidative stress
-
-
-
additional information
?
-
-
wild-type enzyme shows transhydrogenase activity between NADPH and thio-NADP+
-
-
-
additional information
?
-
-
recombinant mutants C53S, C53A, C58S: no activity with trypanothione disulfide and NADPH, but showing transhydrogenase activity between NADPH and thio-NADP+
-
-
-
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NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
trypanothione disulfide + NADPH
trypanothione + NADP+
-
protection against oxidative stress
-
-
-
trypanothione disulfide + NADPH
trypanothione + NADP+
-
scheme for trypanothione-dependent H2O2 metabolism
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
metabolizes H2O2, recombinant and wild-type cells
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
physiological function is to protect the organism from oxidative stress and to assist in maintaining low intracellular levels of hydrogen peroxide
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
highly specific for
-
-
?
trypanothione disulfide + NADPH
trypanothione + NADP+
-
kex enzyme in the tryanothione-based redox metabolism of pathogenic trypanosomes
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
trypanothione disulfide + NADPH + H+
trypanothione + NADP+
-
-
-
-
?
additional information
?
-
-
enzyme is associated with infective capacity of the parasite
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular environment
-
-
-
additional information
?
-
-
enzyme is required for maintaining the reducing intracellular redox equilibrium, trypanosomes lacking the enzyme are avirulent and show increased sensitivity to oxidative stress
-
-
-
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COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
FAD
-
-
FAD
-
-
394775, 394776, 394779, 394780, 394781, 394784, 394785, 394788, 394790, 394791, 394793, 394794, 394797, 394800, 394803, 394804, 394805, 394808, 394809, 697340, 699454, 699618, 710883, 711757, 724552
NADPH
-
-
NADPH
-
-
394775, 394776, 394779, 394780, 394784, 394785, 394790, 394791, 394793, 394794, 394797, 394800, 394803, 394804, 394805, 394808, 394809, 659359, 659676, 672529, 675282, 675289, 675292, 675780, 696679, 697321, 697340, 699454, 699618, 710883, 711757, 724552, 725064, 742441, 743327
NADPH
-
highly specific for NADPH, activity with 0.15 mM NADH is only 5.7% of that obtained with 0.15 mM NADPH
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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(1E)-1-(2-chlorophenyl)penta-1,4-dien-3-one
-
0.1 mM, irreversible inhibition
(1E)-1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone O-benzyloxime
-
-
(22R,25R)-solasodine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(22R,25S)-solanidine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(22S,25S)-tomatidine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(2E)-3-(5-nitrofuran-2-yl)-N-tricyclo[3.3.1.13,7]dec-1-ylprop-2-enamide
-
-
(2Z)-2-[(2E)-2-(3H-indol-3-ylidene)ethylidene]-1-methyl-1,2-dihydroquinoline
-
-
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)(phenyl)-methanone
-
-
(4'-chloro-2,2':6',2''-terpyridine)platinum(II) ammine complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4-picoline) (4'-p-bromophenyl-2,2':6',2''-terpyridine)platinum(II) complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4E)-5-(2-chlorophenyl)-N,N,2,2-tetramethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, reversible inhibition
(4E)-5-(2-chlorophenyl)-N,N-dimethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, irreversible inhibition
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester
-
-
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester
-
-
1,1'-hexamethylenebis[5-(4-chlorophenyl)biguanide]
-
more than 90% inhibition at 0.1 mM
1,1'-[10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazine-2,8-diyl]diethanone
-
-
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(3-benzyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
-
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-methyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.1 mM
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-phenyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.004 mM
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
1,6-dimethyl-3-(4-methylphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
1-(1-methylpiperidin-3-yl)-3-(2-phenoxyethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.1 mM
1-(1H-indol-5-yl)-N-[(4-methylpiperazin-1-yl)methyl]methanediamine
-
0.1 mM, 31% or 39% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(2,4-dichlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol
-
IC50: 0.005 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.004 mM
1-(2-phenoxyethyl)-3-[2-(piperidin-1-yl)ethyl]-1,3-dihydro-2H-benzimidazol-2-imine
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.009 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.01 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one
-
containing two Cl groups and one NH-4-EtPh group
1-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)methanediamine
-
0.1 mM, 15% or 14% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(3-phenoxypropyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.007 mM
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-(dimethyl-amino)ethanone
-
-
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-phenyl-ethanone
-
-
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 42% inhibition at 0.025 mM
1-(4-chlorophenyl)-3-morpholin-4-ylpropan-1-one
-
containing one Cl group and one N-morpholinyl group
1-(4-ethoxyphenyl)-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 6% inhibition at 0.025 mM
1-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-2-amine
-
-
1-(5-phenoxypentyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.008 mM
1-(methylsulfanyl)-4-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-5,6,7,8-tetrahydroisoquinoline
-
-
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
1-biphenyl-4-yl-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.025 mM
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-(thiophen-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[(Z)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]piperidinium chloride
-
0.1 mM, irreversible inhibition
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(3-phenyl-propyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(E)-(3-phenyl-allyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-piperazine
-
-
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-3-[2,6-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 8
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-tolyl-urea
-
ferrocenic 4-aminoquinoline urea compound 5
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-[2,4-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 7
1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone
-
-
1-[2-imino-3-(2-morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3,3-dimethylbutan-2-ol
-
IC50: 0.1 mM, 66% inhibition at 0.025 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
-
IC50: 0.016 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.005 mM
1-[2-imino-3-(morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.009 mM
1-[4-(methylsulfonyl)phenyl]-3-piperidin-1-ylpropan-1-one
-
containing one N-piperidyl group
10-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethyl)-10,10a-dihydro-4aH-phenothiazine
-
-
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
2,2'-(2-imino-1H-benzimidazole-1,3(2H)-diyl)bis(N,N-diethylethanamine)
-
IC50: 0.059 mM
2,2-dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
-
2,3-Bis(3-(2-amidinohydrazono)-butyl)-1,4-naphthoquinone dihydrochloride
-
-
2-(1-[3-[2-(trifluoromethyl)-4a,10a-dihydro-10H-phenothiazin-10-yl]propyl]piperidin-4-yl)ethanol
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-2-oxoethanamine
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylethanamine
-
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylethanamine
-
-
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanol
-
IC50: 0.1 mM, 32% inhibition at 0.025 mM
2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-N,N-dimethylethanamine
-
-
2-(4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl)naphthalene-1,4-dione
-
non-competitive inibition, 79% inhibition at 0.05 mM
2-(5-nitro-2-furanylmethylidene)-N,N'-(1,4-piperazinediylbis(1,3-propanediyl))bishydrazinecarboximidamide tetrahydrobromide
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-chloro-10-(3-(4-(3-phenylpropyl)piperazin-1-yl)propyl)-10H-phenothiazine
-
-
2-chloro-10-[3-[(Z)-propyldiazenyl]propyl]-10,10a-dihydro-4aH-phenothiazine
-
-
2-methoxy-6-chloro-9-aminoacridine/2-hydroxyethanethiolate (2,2':6',2''-terpyridine)platinum(II) complex
-
4 chimeric compound variants, competitive and irreversible inhibition, probably Cys52 of the enzyme is specifically modified, 4'-substituted (terpyridine)platinum(II) containing complexes do not inhibit irreversibly
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol
-
IC50: 0.024 mM, 85% inhibition at 0.025 mM
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
-
IC50: 0.007 mM, 91% inhibition at 0.025 mM
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.019 mM
2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.029 mM
2-[3-[2-(dimethylamino)propyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.035 mM
2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
-
23% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
-
non-competitive inibition, 75% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione
-
mixed-type inhibition, 57% inhibition at 0.1 mM
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
3',4'-dichlorobenzyl-[5-chloro-2-(phenylsulfanylphenylamino)-propyl]-dimethylammonium chloride
-
-
3,3'-[butane-1,4-diylbis[(3-aminopropyl)imino]]bis(N-[5-chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl]propanamide)
-
IC50: 0.0003 mM
3,3'-[polyaminobis(carbonylalkyl)]bis(1,4-naphthoquinone) derivatives
-
-
-
3,4-dichloro-N-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-N,N-dimethylanilinium
-
-
3,4-dichloro-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(4-methylbenzyl)propan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(pentafluorobenzyl)propan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dimethylbenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,5-dimethoxybenzyl)-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-[4-(cyclohexylmethyl)benzyl]-N,N-dimethylpropan-1-aminium
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-3-oxopropan-1-amine
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylpropan-1-amine
-
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N-methylpropan-1-amine
-
-
3-(2-chloro-5-oxido-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
-
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride
-
containing two Cl groups and one NMe2 HCl group
3-(4-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
-
3-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
-
-
3-(5-bromo-2-fluorophenyl)-1-butyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methyl-1-(propan-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e,1,2,4]triazine-5,7(1H,6H)dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromothiophen-2-yl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
mixed-type inhibition
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
3-Benzyl-1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[4-(7-chloro-quinolin-4-ylamino)-butyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[6-(7-chloro-quinolin-4-ylamino)-hexyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-[(2,3-dimethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-2,3-diMePh group
3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-3-FPh group
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[2-(aminomethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-(hydroxymethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-(methoxycarbonyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-[(1E)-N-benzyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[2-[(E)-(hydroxyimino)methyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
4,4'-bis(4-benzyloxy-3-methoxybenzimidoylamino)di-cyclohexylmethane
-
97% inhibition at 0.1 mM, in the presence of 0.1 mM trypanothione disulfide
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine
-
most active inhibitor
4-(2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidin-1'-yl)ethyl)morpholine
-
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxo-N'-phenylbutanehydrazide
-
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-4-oxobutan-1-amine
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
4-(azepan-1-ylmethyl)-2,6-di-tert-butylphenol
-
containing one Bu group and one N-homopiperidylde group
4-(benzofuroxan-5-ylmethyloxy)benzaldehyde amidinohydrazone
-
50% of inhibition at a inhibitor dose of 0.1 mM, 30% of inhibition at a inhibitor dose of 0.04 mM
4-(benzyloxy)-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
4-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]morpholin-4-ium chloride
-
0.1 mM, irreversible inhibition
4-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)phenol
-
containing one Pr group and one NMe2 group
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
5,5'-dithiobis(N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrobenzamide)
-
recombinant enzyme
5,7-dichloro-4-nitro-2,1,3-benzothiadiazole
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-pyridin-2-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
5-nitro-furan-2-carboxylic acid (3-dimethylamino-propyl)-amide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0019 microM, EC50 value for toxicity against HeLa cells 0.074 microM
5-nitrofuran-2-carboxylic acid benzylamide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0015 microM, EC50 value for toxicity against HeLa cells 0.123 microM
5-nitrofuran-2-carboxylic acid dibenzylamide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0001 microM, EC50 value for toxicity against HeLa cells 0.078 microM
6,7-bis[2-(dimethylamino)ethoxy]-2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]quinazolin-4-amine
-
44% inhibition at 0.05 mM
6,7-dimethoxy-2-[4-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6,7-dimethoxy-2-[4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-6-oxohexan-1-amine
-
-
6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
-
i.e. RD 777. IC50 value 0.029 microM for promastigote assay. Competitive with respect to substrate trypanothione disulfide
6-bromo-2-(5-methylfuran-2-yl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(4-sulfamoylbenzyl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(morpholin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
-
-
6-bromo-N,N,N-trimethyl-2-(2-(5-methylfuran-2-yl)quinoline-4-carboxamido)ethanaminium iodide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylthiophen-2-yl)-quinoline-4-carboxamide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(furan-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(2-(methylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[2-(dimethylamino)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-2-(5-methylfuran-2-yl)-N-[3-(morpholin-4-yl)propyl]quinoline-4-carboxamide
-
-
6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-(4-pyridyl) quinazolin-4-one
-
febrifugine analogue, putative inhibitor identified by molecular docking
6-chloro-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
-
-
7-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
7-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-ethyl-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
8-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
Ac-PKIIQSVGISMKM-NH2
-
the enzyme is almost completely inactivated after 50 min (3000 s) in the presence of 0.025 mM
benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
19% of inhibition at a inhibitor dose of 0.1 mM, 9% of inhibition at a inhibitor dose of 0.04 mM
benzoyl-Gly-L-Arg-L-Arg-L-Leu-beta-naphthylamide
-
reversible and competitive inhibition
benzoyl-L-Leu-L-Arg-L-Arg-beta-naphthylamide
-
reversible and competitive inhibition
benzoyl-L-Phe-L-Val-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
benzyloxycarbonyl-Ala-Arg-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
benzyloxycarbonyl-Gly-Gly-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-p-nitroanilide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-p-nitroanilide
-
reversible and competitive inhibition
benzyloxycarbonyl-L-Lys-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
bis(9H-fluoren-9-ylmethyl) [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
bisbenzylisoquinoline alkaloids
-
e.g. cepharanthine, (-)curine, daphnoline, antioquine, limacine, cycleanine
-
butyl 4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]benzoate
-
containing one NH-4-(CO2-nBu)Ph group
cephalotaxine
-
compound is an alkaloid scaffold lead in the search for inhibitors
cis-3-(1,3-dioxolan-2-yl)-8-bromo-9b-(trans-acrylic acid)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8,9b-bis-(trans-N-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.029 mM
cis-3-oxo-8,9b-bis-(trans-N3-(dimethylamino)propylacrylamido)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8-trans-(N-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.056 mM
cis-3-oxo-8-trans-(N1-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
crude extract of Lentinus strigosus
-
100% inhibition of trypanothione reductase
-
cryptolepine
-
compound is an alkaloid scaffold lead in the search for inhibitors
dethiotrypanothione
-
trypanothione disulfide analogue 2, lack the disulfide
dibenzyl [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
ethyl 2-acetyl-5-[4-butyl-2-(3-hydroxypentyl)-5-nitro-1H-imidazol-1-yl]pent-2-enoate
-
putative drug candidate for the treatment of visceral leishmaniasis
eupomatenoid-5
-
eupomatenoid-5 decreases enzyme activity, leading to a relative increase in reactive oxygen species that triggers mitochondrial depolarization followed by an absolute increase in mitochondrial reactive oxygen and nitrogen species production through the electron transport chain. This increase in reactive oxygen and nitro-gen species induces oxidative damage, leading to parasite death
heptyl (2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinecarboxylate
-
-
hypnophilin
-
100% inhibition of trypanothione reductase, reduces the proliferation of human peripheral blood monocluear cells, not cytotoxic for lymphocytes and monocytes
isopropyl 2-isobutyryl-3-trifluoromethylquinoxaline-7-carboxylate 1,4-di-N-oxide
-
noncompetitive. IC50 values against strains NINOA and INC-5 are 0.060 microM and 0.073 microM, respectively, IC50 against human glutathione reductase is 0.050 microM
L-Phe-L-Pro-L-Arg-4-methoxy-beta-naphthylamide
-
reversible and competitive inhibition
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-(5-chloro-2-[[3-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
N,N'-(furan-2,5-diyldibenzene-4,1-diyl)diacetamide
-
IC50: 0.0485 mM, 54% inhibition at 0.02 mg/ml
N,N-diethyl-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanamine
-
IC50: 0.1 mM, 31% inhibition at 0.025 mM
N,N-diethyl-2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanamine
-
IC50: 0.008 mM
N,N-dimethyl-3-(3-nitrophenyl)-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-aminium
-
-
N,N-dimethyl-3-[2-[(1E)-N-methyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]propan-1-aminium
-
-
N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-(dimethylamino)ethyl)-6-fluoro-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-phenoxyethyl)-N'-(2-piperidin-1-ylethyl)benzene-1,2-diamine
-
IC50: 0.1 mM
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
mixed-type inhibition
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(trifluoromethyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
-
competitive inhibition
N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride
-
containing one Bu group and one N((CH2)2OH) HCl group
N-(3-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(3-dimethylamino-propyl)-O-[(E)-3-(3-[(E)-3-[N-(3-dimethylamino-propyl)aminooxy]-propenyl]-benzofuran-5-yl)-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-(4-bromobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(4-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(4-tert-butylbenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-butane-1,4-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
-
enzyme and growth inhibition
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-hexane-1,6-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-propane-1,3-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-benzyl-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-benzyl-4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxobutanamide
-
-
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Ala
-
glutathione analogue, ASC-I-74B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Gly
-
glutathione analogue, ASC-I-74A, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Ala
-
glutathione analogue, ASC-I-75B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Gly
-
glutathione analogue, ASC-I-75A, inhibition of parasite growth and trypanothione reductase activity
N-[(2E)-1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]acetamide
-
IC50: 0.1 mM
N-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
-
-
N-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-[2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-2-oxoethyl]aniline
-
-
N-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
5% inhibition at 0.1 mM
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(naphthalen-1-ylacetyl)amino]ethyl]-4-[[(3-nitrophenyl)(oxo)acetyl]amino]piperidine-4-carboxamide
-
0.1 mM
N-[3-(4-amino-butylamino)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-amino-butylamino)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-(4-methyl-piperazin-1-yl)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-methyl-piperazin-1-yl)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-4-(diphenylmethoxy)-N,N-dimethylanilinium
-
-
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
N-[4-(benzyloxy)benzyl]-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
-
N-[5-chloro-2-(phenylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
0% inhibition at 0.04 mM
N1,N9-bis-(L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl)-norspermidine
-
non-competitive inhibitor
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-L-arginyl-norspermidine
-
non-competitive inhibitor
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl-N9-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
non-competitive inhibitor
N4-allyl benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
9% of inhibition at a inhibitor dose of 0.1 mM, 13% of inhibition at a inhibitor dose of 0.04 mM
NADPH
-
NADPH inhibits the enzyme at higher concentration and during longer incubation times, enzyme can be protected by NADP+
oxidized 3-acetylpyridine adenine nucleotide
-
wild-type and mutant E201D and E201Q
-
quebrachamine
-
compound is an alkaloid scaffold lead in the search for inhibitors
quinacrine mustard
-
enzyme and inhibitor first forms a reversible complex, then irreversible inactivation of NADPH-reduced and oxidized enzyme occurs, enzyme contains 2 interacting binding sites in the active site for the inhibitors, 2 inhibitor molecules per enzyme monomer are bound, addition of 2-mercaptoethanol prevents inactivation up to 25 mM, clomipramine strongly protects th enzyme from inactivation
spermidine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
spermine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
tert-butyl 4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidine-1'-carboxylate
-
-
tert-butyl-L-Leu-L-Arg-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
tert-butyl-L-Leu-L-Lys-L-Arg-7-amido-4-methylcoumarin
-
reversible and competitive inhibition
trans-[3-(3,4-dibromophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
trans-[3-(3,4-dichlorophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
Urea
-
1 mM urea has no significant effect on activity whereas 50% enzyme inhibition is observed at 750 mM, enzyme after treatment with urea below 500 mM regains about 95% activity
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester
-
-
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester
-
-
[[(7-nitro-2,1,3-benzoxadiazol-4-yl)methyl]sulfanyl]methyl phenylcarbamate
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
-
ZINC01063940
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
-
ZINC01063940
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
11% growth inhibition, no inhibition of glutathione reductase
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
no inhibition of glutathione reductase
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
36% inhibition at 0.1 mM
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
86% inhibition at 0.04 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
52% inhibition at 0.04 mM
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
-
ZINC05829158
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
-
ZINC05829158
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.004 mM
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.01 mM, 92% inhibition at 0.025 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
-
ZINC00346140
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
-
ZINC00346140
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
-
ZINC1064012
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
-
ZINC1064012
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
-
ZINC00702046
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
-
ZINC00702046
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
16% inhibition at 0.1 mM
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
-
ZINC05119716
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
-
ZINC05119716
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
28% inhibition at 0.1 mM
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
28% inhibition at 0.1 mM
1-[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]azepanium
-
ZINC04866531
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, enzyme and growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, enzyme and growth inhibition
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
25% inhibition at 0.1 mM
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
-
ZINC00347698
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
-
ZINC00347698
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC03307332
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC03307332
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC2628155
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
-
ZINC2628155
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
39% inhibition at 0.1 mM
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 76% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 69.5% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 70% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 83% inhibition at 0.001 mM
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
-
ZINC04427277
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
-
ZINC04427277
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
58% inhibition at 0.1 mM
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
42% inhibition at 0.1 mM
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
-
ZINC00347760
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
-
ZINC00347760
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
-
ZINC04128838
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
-
ZINC04128838
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
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-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
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-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
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growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
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growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
enzyme and growth inhibition
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
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3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
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IC50: 0.0065 mM
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
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-
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
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-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
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-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
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-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
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-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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cationic diaryl sulphide-based inhibitor, 38% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
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-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
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-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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cationic diaryl sulphide-based inhibitor, 0% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
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-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
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about 60% inhibition at 0.04 mM
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
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ZINC02240886
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
-
ZINC02240886
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
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-
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
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-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
33% inhibition at 0.1 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
-
less than 5% inhibition at 0.04 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
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-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
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-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
31% inhibition at 0.02 mM
ajoene
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i.e. (E,Z)-4,5,9-trithiadodeca-1,6,11-triene-9-oxide, natural compound from garlic, Allium sativum, covalent inhibition, but also substrate; time- and temperature-dependent inhibition