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Information on EC 3.4.22.51 - cruzipain and Organism(s) Trypanosoma cruzi and UniProt Accession P25779
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EC Tree 3 Hydrolases
3.4 Acting on peptide bonds (peptidases)
3.4.22 Cysteine endopeptidases
3.4.22.51 cruzipain
IUBMB Comments
In peptidase family C1. Is located in the digestive vacuoles of the parasitic trypanosome and contributes to the nutrition of the organism by digestion of host proteins.
The taxonomic range for the selected organisms is: Trypanosoma cruzi
The enzyme appears in selected viruses and cellular organisms
The enzyme appears in selected viruses and cellular organisms
- 3.4.22.51
- cathepsins
- brucei
-
protozoan
- epimastigotes
- trypomastigotes
-
trypanocidal
- trypanosomiasis
-
trypanosomal
- papain
- proteinases
- amastigote
-
papain-like
- benznidazole
-
anti-trypanosoma
-
antiparasitic
-
latin
- thiosemicarbazone
-
vinyl
- rhodesiense
- cystatins
-
nitril
- trypanothione
- nifurtimox
-
antichagasic
- chagasin
- bauhinia
- kininogens
-
warhead
-
metacyclic
- medicine
-
metacyclogenesis
- falcipain-2
- congolense
-
cruzi-infected
- trans-sialidase
-
tulahuen
-
reservosomes
-
n-acylhydrazones
- pharmacology
- molecular biology
- z-phe-arg-amc
- semicarbazone
- drug development
showSynonyms
cruzipain, cruzain, rhodesain, major cysteine proteinase, congopain, cathepsin l-like cysteine protease, cathepsin l-like protease, gp57/51, brucipain, trypanopain, more
topSYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
cruzain
-
congopain
-
-
-
-
cruzain
cruzipain
evansain
-
-
-
-
GP57/51
-
-
-
-
proteinase, Trypanosoma congolese cysteine
-
-
-
-
proteinase, Trypanosoma cruzi cysteine
-
-
-
-
proteinase, Trypanosoma cysteine
-
-
-
-
trypanopain
-
-
-
-
Trypanosoma congolese cysteine protease
-
-
-
-
Trypanosoma cruzi cysteine protease
-
-
-
-
Trypanosoma cysteine protease
-
-
-
-
cruzain
-
-
-
-
cruzain
-
-
cruzipain
-
-
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
hydrolysis of peptide bond
-
-
-
-
CAS REGISTRY NUMBER
COMMENTARY
102227-51-0
-
141588-22-9
-
84399-99-5
-
90371-53-2
-
SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
LITERATURE
COMMENTARY
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
(7-[[(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(morpholin-4-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(morpholin-4-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(naphthalen-2-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(naphthalen-2-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(phenylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(phenylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylcarbonyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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ir
(7-[[(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1,3-benzothiazol-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1,3-benzothiazol-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1,3-benzothiazol-6-ylmethyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1,3-benzothiazol-6-ylmethyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1-benzofuran-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1-benzofuran-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1-benzothiophen-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1-benzothiophen-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1H-benzotriazol-5-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1H-benzotriazol-5-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(1H-indol-5-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1H-indol-5-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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ir
(7-[[(2S)-2-(4-[(1S)-1-[(1H-indol-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(1H-indol-6-ylcarbonyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-(4-[(1S)-1-[(4-methoxybenzyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-(4-[(1S)-1-[(4-methoxybenzyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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ir
(7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(1-methyl-1H-indol-6-yl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(1-methyl-1H-indol-6-yl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(2-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(2-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(3-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(3-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(4-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1,2-dimethyl-1-[[(4-methylphenyl)carbonyl]amino]propyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1-(benzylamino)-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1-(benzylamino)-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1-[[(2-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1-[[(2-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1-[[(3-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1-[[(3-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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(7-[[(2S)-2-[4-[(1S)-1-[[(4-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-3,4-dihydro-2H-chromen-3-yl)acetic acid + H2O
(2S)-2-[4-[(1S)-1-[[(4-methoxyphenyl)carbonyl]amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl]hexanoic acid + 7-amino-4-methylcoumarin-3-acetic acid
Substrates: -
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benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Arg-Ala + 7-amino-4-methylcoumarin
Substrates: -
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?
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Arg-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
Z-Phe-Arg-7-amido-4-methylcoumarin + H2O
Z-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
2-aminobenzoic acid-ALRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: -
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?
2-aminobenzoic acid-KLGFSKQ-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: -
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?
2-aminobenzoic acid-KLRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: and analogues
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2-aminobenzoic acid-peptidyl-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: and derivatives, enzyme shows preference for benzyl-Cys or Arg at the P1 position and a hydrophobic non-aromatic residue at position P2
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2-aminobenzoyl-ARF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-NH2 + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-FRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Pro-OH + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Trp-OH + H2O
?
-
Substrates: -
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?
2-aminobenzoyl-RRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH + H2O
?
-
Substrates: -
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Ac-Phe-Arg-7-amido-4-methylcoumarin + H2O
Ac-Phe-Arg + 7-amino-4-methylcoumarin
-
Substrates: 10 microM, 4 nanoM cruzain, 45 min, room temperature, pH 5.5
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benzoyl-His-Arg-7-amido-4-methylcoumarin + H2O
benzoyl-His-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzoyl-HR-4-methylcoumarin 7-amide + H2O
?
Substrates: less susceptible substrate
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benzoyl-Phe-Arg-4-methylcoumarin-7-amide + H2O
?
Substrates: fluorogenic substrates based on the peptide benzoyl-Phe-Arg-4-methylcoumarin-7-amide
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benzoyl-Phe-Val-Arg-p-nitroanilide + H2O
?
-
Substrates: as active as with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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benzoyl-Pro-Phe-Arg-p-nitroanilide + H2O
?
-
Substrates: 41% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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benzoyl-RR-4-methylcoumarin 7-amide + H2O
?
Substrates: less susceptible substrate
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benzoyl-Tyr-Arg-7-amido-4-methylcoumarin + H2O
benzoyl-Tyr-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzoyl-Val-Gly-Arg-p-nitroanilide + H2O
?
-
Substrates: 52% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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benzoyl-YR-4-methylcoumarin 7-amide + H2O
?
Substrates: -
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?
benzyloxycarbonyl-Ala-Arg-Arg-methoxy-beta-naphthylamide + H2O
?
-
Substrates: 36% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide + H2O
?
-
Substrates: -
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?
benzyloxycarbonyl-Gly-Pro-Arg-p-nitroanilide + H2O
?
-
Substrates: 66% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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benzyloxycarbonyl-Phe-Arg-methoxy-beta-naphthylamide + H2O
?
-
Substrates: 30% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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Bz-Phe-Arg-4-methylcoumaryl-7-amide + H2O
Bz-Phe-Arg + 7-amino-4-methylcoumarin
-
Substrates: -
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Bz-Pro-Phe-Arg-4-nitroanilide + H2O
Bz-Pro-Phe-Arg + 4-nitroaniline
-
Substrates: -
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epsilon-NH2(capryl)-L-(SBzl)C-7-amido-4-methylcoumarin + H2O
?
-
Substrates: -
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human IgG + H2O
?
-
Substrates: specific cleavage sites on human IgG subclasses by cruzipain
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Lys-Arg-primaquine + H2O
Lys-Arg + primaquine
-
Substrates: -
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N-alpha-benzyloxy-carbonyl-L-phenylalanyl-L-alanine-(7-amido-4-methylcoumarin) + H2O
N-alpha-benzyloxy-carbonyl-L-phenylalanyl-L-alanine + 7-amino-4-methylcoumarin
-
Substrates: -
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N-alpha-benzyloxycarbonyl-L-arginyl-L-alanine-(7-amido-4-methylcoumarin) + H2O
N-alpha-benzyloxycarbonyl-L-arginyl-L-alanine + 7-amino-4-methylcoumarin
-
Substrates: -
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N-alpha-benzyloxycarbonyl-L-tyrosyl-L-alanine-(7-amido-4-methylcoumarin) + H2O
N-alpha-benzyloxycarbonyl-L-tyrosyl-L-alanine + 7-amino-4-methylcoumarin
-
Substrates: -
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N-carbobenzoxy-Arg-Arg-2-(4-methoxy)-naphthylamide + H2O
N-carbobenzoxy-Arg-Arg + 2-amino-4-methoxynaphthalene
Substrates: -
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?
N-tert-butoxycarbonyl-O-benzyl-Ser-Gly-Arg-p-nitroanilide + H2O
?
-
Substrates: 39% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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N-tert-butoxycarbonyl-Val-Leu-Gly-Arg-p-nitroanilide + H2O
?
-
Substrates: 24% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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o-aminobenzoyl-ALRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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o-aminobenzoyl-HLRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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o-aminobenzoyl-KARFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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o-aminobenzoyl-KFRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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o-aminobenzoyl-KLFFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLF + FSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLGFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLG + FSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLKFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLK + FSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFAKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FAKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFFKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FFKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFPKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FPKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFSFQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FSFQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: no hydrolysis is detected
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o-aminobenzoyl-KLRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFSPQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FSPQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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o-aminobenzoyl-KLRFSRQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + FSRQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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?
o-aminobenzoyl-KLRLSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + LSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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?
o-aminobenzoyl-KLRRSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
o-aminobenzoyl-KLR + RSKQ-N-(2,4-dinitrophenyl)-ethylenediamine
-
Substrates: -
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?
o-aminobenzoyl-KPRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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?
o-aminobenzoyl-KRRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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?
o-aminobenzoyl-LLRFSKQ-N-(2,4-dinitrophenyl)-ethylenediamine + H2O
?
-
Substrates: -
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?
peptidyl-4-nitroanilide + H2O
?
Substrates: derivatives of
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peptidyl-methylcoumarin amide + H2O
?
Substrates: and derivatives, enzyme shows preference for benzyl-Cys or Arg at the P1 position and a hydrophobic non-aromatic residue at position P2
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Phe-Ala-primaquine + H2O
Phe-Ala + primaquine
-
Substrates: -
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Phe-Arg-primaquine + H2O
Phe-Arg + primaquine
-
Substrates: -
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tosyl-Gly-Pro-Arg-p-nitroanilide + H2O
tosyl-Gly-Pro-Arg + p-nitroaniline
-
Substrates: 25% of the activity with benzyloxycarbonyl-Arg-Arg-methoxy-beta-naphthylamide
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Z-Phe-Arg-7-amido-4-methylcoumarin + H2O
?
-
Substrates: 5 microM, pH 6.5, 28°C
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Z-Phe-Arg-7-amido-4-metyhlcoumarin + H2O
Z-Phe-Arg + 7-amino-4-metyhlcoumarin
Substrates: -
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benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
-
Substrates: -
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benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: -
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?
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine + H2O
?
Substrates: Abz-LGMISLMKRPQ-EDDnp
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benzoyl-FR-4-methylcoumarin 7-amide + H2O
?
Substrates: -
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?
benzoyl-FR-4-methylcoumarin 7-amide + H2O
?
Substrates: fluorigenic substrates based on this peptide, substitution of Phe results in less susceptible substrates
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benzoyl-PFR-4-nitroanilide + H2O
?
Substrates: -
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?
benzoyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzoyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzoyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzoyl-Phe-Arg + 7-amino-4-methylcoumarin
-
Substrates: -
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benzoyl-Phe-Arg-7-amido-4-methylcoumarin + H2O
benzoyl-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
benzyloxycarbonyl-Phe-Arg-4-methylcoumarin 7-amide + H2O
?
Substrates: -
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benzyloxycarbonyl-Phe-Arg-4-methylcoumarin 7-amide + H2O
?
-
Substrates: -
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benzyloxycarbonyl-Phe-Arg-4-methylcoumarin 7-amide + H2O
?
Substrates: -
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benzyloxycarbonyl-Phe-Arg-4-methylcoumarin 7-amide + H2O
?
-
Substrates: -
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benzyloxycarbonyl-Phe-Arg-4-methylcoumarin 7-amide + H2O
?
Substrates: -
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Immunoglobulin G1 + H2O
?
Substrates: cleaves specifically at the hinge region
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Immunoglobulin G3 + H2O
?
Substrates: cleaves specifically at the hinge region
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N-carbobenzoxy-Val-Val-Arg-4-nitroanilide + H2O
?
Substrates: -
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?
N-carbobenzoxy-Val-Val-Arg-4-nitroanilide + H2O
?
Substrates: excellent substrate
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N-carbobenzoxy-VVR-4-nitroanilide + H2O
N-carbobenzoxy-VVR + 4-nitroaniline
Substrates: -
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N-carbobenzoxy-VVR-4-nitroanilide + H2O
N-carbobenzoxy-VVR + 4-nitroaniline
-
Substrates: -
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?
peptidyl-beta-naphthylamide + H2O
?
Substrates: derivatives of
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peptidyl-beta-naphthylamide + H2O
?
-
Substrates: derivatives of
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?
Z-Phe-Arg-7-amido-4-methylcoumarin + H2O
Z-Phe-Arg + 7-amino-4-methylcoumarin
-
Substrates: -
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?
Z-Phe-Arg-7-amido-4-methylcoumarin + H2O
Z-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
additional information
?
-
Substrates: substrates are chromogenic peptides with a carboxyl Arg or Lys, enzyme requires at least one more amino acid, preferably Arg, Phe, Val or Leu between the terminal Arg or Lys and the amino-blocking group
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additional information
?
-
Substrates: substrates are chromogenic peptides with a carboxyl Arg or Lys, enzyme requires at least one more amino acid, preferably Arg, Phe, Val or Leu between the terminal Arg or Lys and the amino-blocking group
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additional information
?
-
-
Substrates: substrates are chromogenic peptides with a carboxyl Arg or Lys, enzyme requires at least one more amino acid, preferably Arg, Phe, Val or Leu between the terminal Arg or Lys and the amino-blocking group
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additional information
?
-
Substrates: synthetic chromogenic sustrates
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additional information
?
-
-
Substrates: synthetic chromogenic sustrates
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additional information
?
-
Substrates: antigenic character in natural human infections
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additional information
?
-
-
Substrates: antigenic character in natural human infections
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?
additional information
?
-
Substrates: stimulates potent humoral and cellular immune response during infection in both humans and mice
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?
additional information
?
-
-
Substrates: stimulates potent humoral and cellular immune response during infection in both humans and mice
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?
additional information
?
-
Substrates: enzyme plays a role in the production of antibodies against cardiac M2 muscarinic acetylcholine receptor
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?
additional information
?
-
-
Substrates: enzyme plays a role in the production of antibodies against cardiac M2 muscarinic acetylcholine receptor
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?
additional information
?
-
-
Substrates: cruzipain may act as a survival factor for cardiomyocytes because it rescues them from apoptosis and stimulates arginase-2
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additional information
?
-
-
Substrates: substrate specificity of cruzipain 2 isoform is analysed using internally quenched flurogenic substrates. It is found that cruzipain 2 compared to cruzipain differs substantially regarding the specificity in the S2, S1' and S2' pockets, suggesting that cruzipain 2 acts on distinct natural substrates
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additional information
?
-
-
Substrates: design of selective prodrugs of primaquine: Lys-Arg-primaquine, Phe-Ala-primaquine, and Phe-Arg-primaquine, cleaved by the enzyme in vivo and selectively inhibiting it, overview
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additional information
?
-
-
Substrates: involvement of O-linked GlcNAc moiety present in the major cysteine protease both in cruzipain recognition and in the cross-reactivity between cruzipain and myosin molecules
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additional information
?
-
-
Substrates: design of selective prodrugs of primaquine: Lys-Arg-primaquine, Phe-Ala-primaquine, and Phe-Arg-primaquine, cleaved by the enzyme in vivo and selectively inhibiting it, overview. The molecular mechanism acts via nucleophilic attack of the catalytic Cys25 residue on the respective prodrug amide carbonyl carbon, releasing primaquine, docking study showing specific interactions between the prodrug and the S1 and S2 pockets of cruzipain with the dipeptides acting as distance holders
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NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
LITERATURE
COMMENTARY
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
Z-Phe-Arg-7-amido-4-methylcoumarin + H2O
Z-Phe-Arg + 7-amino-4-methylcoumarin
Substrates: -
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?
Lys-Arg-primaquine + H2O
Lys-Arg + primaquine
-
Substrates: -
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Phe-Ala-primaquine + H2O
Phe-Ala + primaquine
-
Substrates: -
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?
Phe-Arg-primaquine + H2O
Phe-Arg + primaquine
-
Substrates: -
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?
Z-Phe-Arg-7-amido-4-metyhlcoumarin + H2O
Z-Phe-Arg + 7-amino-4-metyhlcoumarin
Substrates: -
Products: -
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?
additional information
?
-
Substrates: antigenic character in natural human infections
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?
additional information
?
-
-
Substrates: antigenic character in natural human infections
Products: -
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?
additional information
?
-
Substrates: stimulates potent humoral and cellular immune response during infection in both humans and mice
Products: -
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?
additional information
?
-
-
Substrates: stimulates potent humoral and cellular immune response during infection in both humans and mice
Products: -
Products: -
?
additional information
?
-
Substrates: enzyme plays a role in the production of antibodies against cardiac M2 muscarinic acetylcholine receptor
Products: -
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?
additional information
?
-
-
Substrates: enzyme plays a role in the production of antibodies against cardiac M2 muscarinic acetylcholine receptor
Products: -
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?
additional information
?
-
-
Substrates: cruzipain may act as a survival factor for cardiomyocytes because it rescues them from apoptosis and stimulates arginase-2
Products: -
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?
additional information
?
-
-
Substrates: design of selective prodrugs of primaquine: Lys-Arg-primaquine, Phe-Ala-primaquine, and Phe-Arg-primaquine, cleaved by the enzyme in vivo and selectively inhibiting it, overview
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METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
NaCl
Km increases up to 400 mM, then decreases and remains constant at 50-60% up to 1 M, kcat maximum at 300 mM
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(1R)-5-fluoro-7-hydroxy-1-(2-hydroxy-4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-2-ium
-
(2-butyl-1-benzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
amiodarone
(2-butyl-1-benzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
-
(2E)-2-[(2E)-[1-(3,4-dichlorophenyl)ethylidene]hydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
61% inhibition at 0.1 mM
(2E)-2-[(2Z)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-ylidene]hydrazine-1-carbothioamide
-
(2E)-2-[(3,4-dichlorophenyl)(4-methylphenyl)methylidene]hydrazine-1-carbothioamide
-
(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazine-1-carbothioamide
-
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carboxamide
20.2% inhibition at 0.1 mM
(2E)-2-[(3,5-dichlorophenyl)methylidene]hydrazine-1-carbothioamide
-
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazine-1-carbothioamide
80.4% inhibition at 0.1 mM
(2E)-2-[1-(3,4-dichlorophenyl)-2-phenylethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(3,4-dichlorophenyl)-3-phenylpropylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(3,4-dichlorophenyl)pentylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(3-bromophenyl)propylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-(4-bromophenyl)-3-(3,4-dichlorophenoxy)propan-2-ylidene]hydrazine-1-carbothioamide
(2E)-2-[1-(4-bromophenyl)-3-(3-chloro-4-fluorophenoxy)propan-2-ylidene]hydrazine-1-carbothioamide
93.7% inhibition at 0.1 mM
(2E)-2-[1-(4-bromophenyl)-3-(5-chloro-4-fluoro-2-methylphenoxy)propan-2-ylidene]hydrazine-1-carbothioamide
0.1 mM, 93.7% inhibition
(2E)-2-[1-([1,1'-biphenyl]-3-yl)ethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-([1,1'-biphenyl]-4-yl)ethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-[(4-chlorophenyl)sulfanyl]propan-2-ylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-[3,5-bis(trifluoromethyl)phenyl]propylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazine-1-carbothioamide
-
(2E)-2-[1-[3-(trifluoromethyl)phenyl]propylidene]hydrazine-1-carbothioamide
-
(2E)-2-[2-(4-bromophenoxy)-1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 67.5% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-chlorophenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 53.1% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-fluorophenyl)ethylidene]-N-methylhydrazine-1-carbothioamide
0.05 mM, 30.0% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-fluorophenyl)ethylidene]-N-phenylhydrazine-1-carbothioamide
0.05 mM, 35.0% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-fluorophenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 38.7% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-methoxyphenyl)ethylidene]-N-methylhydrazine-1-carbothioamide
0.05 mM, 29.8% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-methoxyphenyl)ethylidene]-N-phenylhydrazine-1-carbothioamide
0.05 mM, 42.8% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-methoxyphenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 70.9% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(4-methylphenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 67.6% inhibition, 23°C, pH 5.5
(2E)-2-[2-(4-bromophenoxy)-1-(naphthalen-1-yl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 73.6% inhibition, 23°C, pH 5.5
(2E)-2-[2-[(3-chlorophenyl)sulfanyl]ethylidene]hydrazine-1-carbothioamide
76.9% inhibition at 0.1 mM
(2E)-2-[3-[([1,1'-biphenyl]-2-yl)oxy]butan-2-ylidene]hydrazine-1-carbothioamide
-
(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydrazine-1-carbothioamide
-
(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazine-1-carbothioamide
-
(2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)prop-2-en-1-one
-
(2E)-3-(2-chlorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)prop-2-en-1-one
-
(2E)-5-ethyl-2-[(2E)-[2-phenoxy-1-[4-(thiomorpholin-4-yl)phenyl]ethylidene]hydrazinylidene]-1,3-thiazolidin-4-one
94.3% inhibition at 0.1 mM
(2R,3R,4R,5R)-3,4-dihydroxy-N1,N6-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
-
(2S)-1-[[(2S)-1-([(2S,3E)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate
(2S)-1-[[(2S)-1-[[(3S,4E)-6-[(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-6-oxo-1-phenylhex-4-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-valinate
-
(2S)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
fukugetin
(2S)-2-(1-[1-[(Z)-1-chloro-2-(phenylsulfonyl)ethenyl]pentyl]-1H-1,2,3-triazol-4-yl)-3-methyl-N-(quinolin-6-ylmethyl)butan-2-amine
10 microM
(2S)-3-cyclohexyl-1-[[(2S)-1-[[(2S,3E)-5-[(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl N,N-dimethyl-L-valinate
-
(2S)-3-methyl-2-(1-[1-[(E)-2-(phenylsulfonyl)ethenyl]pentyl]-1H-1,2,3-triazol-4-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
10 microM
(2S)-N-(1-cyano-1-methylethyl)-3-phenyl-2-(phenylformamido)propanamide
i.e. Neq0410, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy
(2S)-N-(1-cyanocyclopropyl)-3-phenyl-2-(phenylformamido)propanamide
i.e. Neq0570, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy
(2S)-N-(1-cyanocyclopropyl)-4,4,4-trifluoro-2-([(1S)-2,2,2-trifluoro-1-[4'-(methanesulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino)butanamide
-
(2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)-propanamide
i.e. Neq0409, inhibition is enthalpy driven with a clear detrimental contribution of the entropy difference to the free binding energy
(2S,2'S)-N,N'-[piperazine-1,4-diyldi(propane-3,1-diyl)]bis[2-amino-5-[(diaminomethylidene)amino]pentanamide]
ciraparantag
(2S,3R)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
-
(2Z)-2-(2-[([1,1'-biphenyl]-3-yl)oxy]-1-(4-bromophenyl)ethylidene)hydrazine-1-carbothioamide
0.05 mM, 65.4% inhibition, 23°C, pH 5.5
(2Z)-2-(2-[([1,1'-biphenyl]-4-yl)oxy]-1-(4-bromophenyl)ethylidene)hydrazine-1-carbothioamide
0.05 mM, 63.7% inhibition, 23°C, pH 5.5
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3,4-dichlorophenyl)-2,3-dihydro-1,3-thiazole
86.8% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3,5-dichlorophenyl)-2,3-dihydro-1,3-thiazole
99.7% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3-nitrophenyl)-2,3-dihydro-1,3-thiazole
85.3% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-chlorophenyl)-2,3-dihydro-1,3-thiazole
90.4% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole
95.8% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-methylphenyl)-2,3-dihydro-1,3-thiazole
97.7% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(naphthalen-2-yl)-2,3-dihydro-1,3-thiazole
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-phenyl-2,3-dihydro-1,3-thiazole
80.7% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole
(2Z)-2-[1-(4-bromophenyl)-2-(2,3-dichlorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 81.8% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(2-chlorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 58.9% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(3,4-dichlorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 99.1% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 93.7% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(3-chlorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM,51.8 % inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(3-methoxyphenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 62.8% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-chlorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 76.3% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-ethylphenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 75.1% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-fluorophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 84.0% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-iodophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 63.3% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-methoxyphenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 75.8% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-(4-tert-butylphenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 85.3% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazine-1-carbothioamide
0.05 mM, 61.8% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-[(naphthalen-1-yl)oxy]ethylidene]hydrazine-1-carbothioamide
-
(2Z)-2-[1-(4-bromophenyl)-2-[(naphthalen-2-yl)oxy]ethylidene]hydrazine-1-carbothioamide
0.05 mM, 72.1% inhibition, 23°C, pH 5.5
(2Z)-2-[1-(4-bromophenyl)-2-[4-(propan-2-yl)phenoxy]ethylidene]hydrazine-1-carbothioamide
0.05 mM, 49.7% inhibition, 23°C, pH 5.5
(2Z)-2-[2-(3-bromophenoxy)-1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 81.3% inhibition, 23°C, pH 5.5
(2Z)-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)-2-oxonaphthalen-1(2H)-ylidene]hydrazine-1-carbothioamide
83% inhibition at 0.1 mM
(2Z)-4-(4-bromophenyl)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-2,3-dihydro-1,3-thiazole
complete inhibition at 0.1 mM
(3,4-dihydroisoquinolin-2(1H)-yl)(3-phenyl-1H-pyrazol-5-yl)methanone
-
(4-hydroxyphenyl)[(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
-
(5R)-5-(3,4-difluorophenyl)-3-[2-[(5S)-5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
in the epimastigote form, the inhibitor does not show trypanocidal effects, against bloodstream trypomastigotes the LC50 value is greater than 0.250 mM
(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
-
(E)-1-(3',4'-dichlorophenyl)-3-(imidazole-1-yl)propan-1-one thiosemicarbazone
-
(E)-1-(3',4'-dichlorophenyl)-3-(morpholin-4-yl)propan-1-one thiosemicarbazone
-
(E)-1-(3',4'-dichlorophenyl)-3-(piperidin-1-yl)propan-1-one thiosemicarbazone
-
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
-
(S)-1-(((S)-1-(((R,E)-5-((R)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
(S)-1-(((S)-1-(((S,E)-5-((R)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-phenylalinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-valinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
-
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxopent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
(S)-1-(((S)-1-(((S,E)-5-((S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
derivative of gallinamide A, additionally inhibitory to cathepsin L, EC 3.4.22.15
1-(2-methoxy-4-propylphenoxy)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-ol
-
1-[(5R)-3,5-di(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-([5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl)ethanone
in the epimastigote form, the inhibitor does not show trypanocidal effects, against bloodstream trypomastigotes the LC50 value is greater than 0.250 mM
1-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-ol
-
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine
-
2-(3-chloro-4-methoxyanilino)-2-oxoethyl (2S)-2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate
-
2-(4-acetamidophenoxy)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide
79% inhibition at 0.1 mM
2-(4-methoxyphenylamino)naphthalene-1,4-dione
0.1 mM, 26.0% inhibition
-
2-(N-benzyl-N-methylamino)naphthalene-1,4-dione
0.1 mM, 6.0% inhibition
-
2-bromo-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-5alpha,8alpha-ergotaman
bromocriptine
2-bromo-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
-
2-phenoxy-N-[2-(1-phenyl-1H-benzimidazol-2-yl)ethyl]acetamide
79% inhibition at 0.1 mM
2-[(1-phenylethyl)amino]naphthalene-1,4-dione
26% inhibition at 0.1 mM
2-[(E)-[2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]pyridine
85% inhibition at 0.1 mM
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
2-[N-(5-methylisoxazol-3-yl)sulfanilamide]naphthalene-1,4-dione
0.1 mM, 95.0% inhibition
-
2-[N-(pyridin-2-yl)sulfanilamide]naphthalene-1,4-dione
0.1 mM, 48.0% inhibition
-
3-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl]-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
10 microM
3-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl]-1H-1,2,3-triazol-1-yl)-2-oxoheptyl 2,6-bis(trifluoromethyl)benzoate
10 microM
3-(4-[(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl]-1H-1,2,3-triazol-1-yl)-2-oxoheptyl 2,6-dimethylbenzoate
10 microM
3-(4-[(1S)-1-[(1,3-benzothiazol-6-ylmethyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
10 microM
3-(4-[(1S)-1-[(1,3-benzothiazol-6-ylmethyl)amino]-1,2-dimethylpropyl]-1H-1,2,3-triazol-1-yl)-2-oxoheptyl 2,6-bis(trifluoromethyl)benzoate
10 microM
3-tert-butyl-N-[(3-chlorophenyl)methyl]-N-[2-[(cyanomethyl)amino]-2-oxoethyl]-1-methyl-1H-pyrazole-5-carboxamide
-
3-[4-[(1S)-1-cyclopentyl-1-[[(pyrazolo[1,5-a]pyrimidin-5-yl)methyl]amino]ethyl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
-
3-[4-[(2S)-3-methyl-2-[(quinolin-6-yl)amino]butan-2-yl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
-
-
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
4-nitro-N'-[(E)-(2-oxo-4-phenyl-1,2,5lambda5-oxadiazol-3-yl)methylidene]benzohydrazide
-
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
6% inhibition at 0.1 mM
4-[[(2Z)-2-(2-carbamothioylhydrazinylidene)-2-(4-nitrophenyl)ethyl]amino]-4-oxobutanoic acid
-
6-(octahydro-1H-Indol-1-ylmethyl)decahydroquinazoline-2,4-diamine
DB02559
-
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
hinokiflavone
7-chloro-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]quinoline-4-carboxamide
-
7-chloro-N-[2-(morpholin-4-yl)ethyl]quinolin-4-amine
88% inhibition at 0.1 mM
benzoyl-Tyr-Ala-chloromethyl ketone
first quantum mechanics/molecular mechanics studies show that benzoyl-Tyr-Ala-chloromethyl ketone is a good candidate for the development of a proper inhibitor of cruzain, which in turn can be used in the treatment of Chagas desease
chagasin
computational protocol allows the identification and prediction of thermodynamics binding energy parameters for cruzipain/chagasin-like heterodimers
-
ethyl (2E,5R)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-4-methylpentanoyl]amino]-4-oxo-7-phenylhept-2-enoate
ethyl 2-[(Z)-[4-phenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-(2-[[2-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethoxy)naphthalene-1-carboxylate
92% inhibition at 0.1 mM
N'-(1,4-dihydro-1,4-dioxonaphthalen-2-yl)isonicotinoyl hydrazide
0.1 mM, 37.0% inhibition
-
N'-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyridine-4-carbohydrazide
37% inhibition at 0.1 mM
N'-(4-hydroxy-2-oxonaphthalen-1(2H)-ylidene)isonicotinoylhydrazide
0.1 mM, 66.0% inhibition
-
N'-(4-hydroxy-2-oxonaphthalen-1(2H)-ylidene)pyridine-4-carbohydrazide
66% inhibition at 0.1 mM
N'-(4-hydroxy-3-(3-methylbut-2-enyl)-2-oxonaphthalen-1(2H)-ylidene)isonicotinoylhydrazide
0.1 mM, 83.0% inhibition
-
N'-[(E)-(4-methyl-5-oxo-1,2lambda5,5-oxadiazol-3-yl)methylidene]-4-nitrobenzohydrazide
-
N'-[4-hydroxy-3-(3-methylbut-2-en-1-yl)-2-oxonaphthalen-1(2H)-ylidene]pyridine-4-carbohydrazide
76% inhibition at 0.1 mM
N-(1-cyanocyclopropyl)-N2-[(1R)-2,2,2-trifluoro-1-(4'-fluoro[1,1'-biphenyl]-4-yl)ethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-N2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-Nalpha-(phenylacetyl)-L-phenylalaninamide
pKi: 6.4 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
-
N-(1-cyanocyclopropyl)-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
-
N-(1-cyanocyclopropyl)-Nalpha-[(4-fluorophenyl)acetyl]-L-phenylalaninamide
pKi: 6.3 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[(4-hydroxyphenyl)acetyl]-L-phenylalaninamide
pKi: 7.0 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[(4-iodophenyl)acetyl]-L-phenylalaninamide
pKi: 7.2 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[(4-methylphenyl)acetyl]-L-phenylalaninamide
pKi: 6.6 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[(pyridin-4-yl)acetyl]-L-phenylalaninamide
pKi: 5.9 (-log(Ki/M))
N-(1-cyanocyclopropyl)-Nalpha-[[4-(trifluoromethyl)phenyl]acetyl]-L-phenylalaninamide
pKi: 6.6 (-log(Ki/M))
N-(1-cyanocyclopropyl)-O-methyl-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
-
N-(1-cyanocyclopropyl)-O-methyl-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
-
N-(2-[1-[2-(benzyloxy)ethyl]-1H-benzimidazol-2-yl]ethyl)-2-phenoxyacetamide
76% inhibition at 0.1 mM
N-(3-amino-3-methylbutanoyl)-O-methyl-L-tyrosyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-L-histidinamide
enalkiren
N-(4-([(2Z)-2-(4-bromophenyl)-2-(2-carbamothioylhydrazinylidene)ethyl]oxy)phenyl)acetamide
0.05 mM, 80.7% inhibition, 23°C, pH 5.5
N-(4-[[(3E)-3-(2-carbamothioylhydrazinylidene)butan-2-yl]oxy]phenyl)acetamide
-
N-(cyanomethyl)-N2-[(1S)-2,2,2-trifluoro-1-[4'-(1-piperazinyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz008
-
N-(trans-epoxysuccinyl)-L-leucine 4-guanidinobutylamide
E-64, irreversible inhibitor
N-[(1R)-1-cyano-2-phenylethyl]-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
-
N-[(1R,2R)-2-(benzyloxy)-1-cyanopropyl]-Nalpha-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-3-chloro-L-phenylalaninamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-[4-(pyrimidin-5-yl)phenyl]ethyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-O-methyl-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
-
N-[(1S,2S)-2-(benzyloxy)-1-cyanopropyl]-Nalpha-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-L-phenylalaninamide
-
N-[(2E)-1-(benzenesulfonyl)-5-phenylpent-2-en-3-yl]-Nalpha-(morpholine-4-carbonyl)-L-phenylalaninamide
-
N-[(2S)-1-[[(1E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-5-(carbamimidamidooxy)-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
-
N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz007
-
N-[2-(1-benzyl-1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
77% inhibition at 0.1 mM
N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
87% inhibition at 0.1 mM
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
-
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(6-hydroxynaphthalen-2-yl)oxy]acetamide
90% inhibition at 0.1 mM
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(6-methoxynaphthalen-2-yl)oxy]acetamide
complete inhibition at 0.1 mM
N-[2-[(naphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[3-[(6-methylpyridin-2-yl)amino]-3-oxopropyl]-1H-benzotriazole-5-carboxamide
-
N-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide
weak inhibitor shows trypanocidal activity, against bloodstream trypomastigotes the LC50 value is greater than 0.250 mM
N-[[3-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
-
N2-(4-chlorophenyl)-N4-[2-(morpholin-4-yl)ethyl]quinazoline-2,4-diamine
-
N2-[(1R)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
-
N2-[(1R)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
-
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
-
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
-
N2-[1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
-
Nalpha-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-3-chloro-N-(cyanomethyl)-L-phenylalaninamide
-
Nalpha-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-N-[(1S)-1-cyano-2-phenylethyl]-L-phenylalaninamide
-
Nalpha-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-N-[(1S)-1-cyano-3-methylbutyl]-L-phenylalaninamide
-
Nalpha-[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
-
Nalpha-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
-
Nalpha-[(4-bromophenyl)acetyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
pKi: 6.9 (-log(Ki/M))
Nalpha-[(4-chlorophenyl)acetyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
pKi: 7.2 (-log(Ki/M))
Nalpha-[(benzyloxy)carbonyl]-N-[(1E,3S)-1-(1-methylpyridin-1-ium-2-yl)-5-phenylpent-1-en-3-yl]-L-phenylalaninamide
-
Nalpha-[(benzyloxy)carbonyl]-N-[(2S,3Z)-4-nitrobut-3-en-2-yl]-L-phenylalaninamide
reversible covalent inhibition
sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
cefoperazone sodium
(1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one thiosemicarbazone
-
IC50: 80 nM
(1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one thiosemicarbazone
-
IC50: 40 nM
(1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one thiosemicarbazone
-
IC50: 30 nM
(1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one thiosemicarbazone
-
IC50: 30 nM
(2(1H)-pyridinethionato-kappaS2)[2,6-bis[(mercapto-KappaS)methyl]pyridine-kappaN1] oxorhenium(V)
-
-
(2E)-1-(1,3-benzodioxol-5-yl)-3-(3-methoxy-4-phenoxyphenyl)prop-2-en-1-one
-
-
(2E)-1-(2'-hydroxy,3'-bromo,4',6'-dimethoxyphenyl)-3-(1-naphthyl)-2-propen-1-one
-
-
(2E)-1-(2'-hydroxy-3'-bromo-4',6'-dimethoxyphenyl)-3-(4-buthoxyphenyl)-2-propen-1- one
-
-
(2E)-1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
-
-
(2E)-1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
-
-
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
-
-
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
-
-
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
-
-
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
-
-
(2E)-1-(4-hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
-
-
(2E)-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-ylidene)hydrazine-1-carbothioamide
61% inhibition at 0.1 mM
(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazine-1-carbothioamide
-
(2E)-2-{4-[(3-oxido-2,1,3-benzoxadiazol-5-yl)methoxy]benzylidene}hydrazinecarboximidamide
-
-
(2E)-3-(4-bromophenyl)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)prop-2-en-1-one
-
-
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
-
-
(2E)-N'-(3'-bromo-4'-hydroxy-5'-methoxybenzilidene)-3,4,5-trimethoxybenzohydrazide
-
-
(2E)-N'-(4'-hydroxy-5'-methoxybenzilidene)-3,4,5-trimethoxybenzohydrazide
-
-
(3-oxido-2,1,3-benzoxadiazol-5-yl)methyl (2E)-2-(4-hydroxybenzylidene)hydrazinecarbimidothioate
-
-
(3S)-3-[4-[(1S)-1-cyclopentyl-1-[[(pyrazolo[1,5-a]pyrimidin-5-yl)methyl]amino]ethyl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
-
(3S,5R,10R)-N-benzyl-3-(2-methylpropyl)-2-oxo-10-[(E)-2-(phenylsulfonyl)ethenyl]-1,4-diazecane-5-carboxamide
-
-
(3S,5R,11R)-N-benzyl-3-(2-methylpropyl)-2-oxo-11-[(E)-2-(phenylsulfonyl)ethenyl]-1,4-diazacycloundecane-5-carboxamide
-
-
(3Z)-5-chloro-7-methyl-1H-indole-2,3-dione 3-thiosemicarbazone
-
IC50: 0.0105 mM
(E)-(3,4-dichlorophenyl)(2-phenylcyclopropyl)methanone thiosemicarbazone
-
IC50: 30 nM
(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone
-
IC50: 40 nM
(E)-1-(1,3-benzodioxol-5-yl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(2,5-chlorothiophenyl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
-
(E)-3-(5-chlorothiophen-2-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
-
(E)-cyclohexyl(3,4-dichlorophenyl)methanone thiosemicarbazone
-
IC50: 3000 nM
(E/Z)-N'-(2-chlorobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(2-hhenylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(2-hydroxybenzylidene)-3-methylquinoxaline-2-hydrazide
-
25 microM
(E/Z)-N'-(2-hydroxybenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM
(E/Z)-N'-(3-chlorobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-bromobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-chlorobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-dimethylaminobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-fluorobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-hydroxybenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-isopropylbenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(4-nitrobenzylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(furfurylidene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(pyridin-2-ylmethylene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-(pyridin-4-ylmethylene)-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(E/Z)-N'-benzylidene-3-phenylquinoxaline-2-hydrazide
-
25 microM, inhibition of parasite growth
(methanethiolato)[2,2'-(thio-kappaS)bis[ethanethiolato-kappaS]] oxorhenium (V)
-
-
(p-methoxyphenylthiolato-S)[2,6-bis[(mercapto-kappaS)methyl]pyridine-kappaN] oxorhenium(V)
-
-
1-[(1-[(E)-[5-(5-hydroxy-3-methoxy-2-methyl-1H-pyrrol-1-yl)-5-oxopentan-2-ylidene]amino]-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl N,N-dimethylisoleucinate
-
2,2-dimethyl-5-[4-(N-phenyl-N'-phenylethyl)amidinopiperazin-1-ylmethyl]-2H-benzimidazole 1,3-di-N-oxide
-
-
2-(N-1-phenyl-ethylidenehydrazino)-4-trifluoromethylpyrimidine
-
100 microM
2-(N-1-phenyl-ethylidenehydrazino)-5-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM
2-(N-1-phenyl-ethylidenehydrazino)-6-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM
2-(N-2-hydroxy-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-hydroxy-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-hydroxy-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-methoxy-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-methoxy-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-methoxy-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
-
100 microM, 20% inhibitory effect
2-(N-2-methyl-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM, 45% inhibitory effect
2-(N-2-methyl-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-2-methyl-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
-
100 microM, 45% inhibitory effect
2-(N-4-chloro-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM, 80% inhibitory effect
2-(N-4-chloro-benzylidenehydrazino)-5-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM
2-(N-4-chloro-benzylidenehydrazino)-6-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM, 60% inhibitory effect
2-(N-4-methoxy-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM, 40% inhibitory effect
2-(N-4-methoxy-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-4-methoxy-benzylidenehydrazino)-6-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM
2-(N-4-methyl-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
-
100 microM, 40% inhibitory effect
2-(N-4-methyl-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-4-methyl-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-4-nitro-benzylidenehydrazino)-4-trifluoromethylpyrimidine
-
100 microM, 50% inhibitory effect
2-(N-4-nitro-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-4-nitro-benzylidenehydrazino)-6-methyl-4-trifluoro-methyl-pyrimidine
-
100 microM
2-(N-benzylidenehydrazino)-4-trifluoromethylpyrimidine
-
100 microM, 30% inhibitory effect
2-(N-benzylidenehydrazino)-5-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-(N-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
-
100 microM
2-[(2Z)-2-[(2Z)-(3-bromobenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
17% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(2Z)-2-[(2Z)-(4-chlorobenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
7% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(2Z)-2-[(2Z)-(4-fluorobenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
3% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(2Z)-2-[(2Z)-(4-methoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
22% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(2Z)-2-[(2Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
3% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(2Z)-2-[(2Z)-[1-(3-bromophenyl)ethylidene]hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
-
22% inhibition at 0.1 mM inhibitor and 140 nM enzyme
2-[(benzofuroxan-5-yl)methylene]-1-(5-bromo-2-hydroxybenzylidene)hydrazine
-
-
4-(benzofuroxan-5-ylmethyloxy)benzaldehyde semicarbazone
-
0.1 mM, 36% of inhibition
5-[4-(N,N'-diphenyl)amidinopiperazin-1-ylmethyl]benzo[1,2-c]1,2,5-oxadiazole N-oxide
-
-
5-[4-(N-benzyl-N'-phenyl)amidinopiperazin-1-ylmethyl]-2,2-dimethyl-2H-benzimidazole 1,3-di-N-oxide
-
-
5-[4-(N-benzyl-N'-phenyl)amidinopiperazin-1-ylmethyl]benzo[1,2-c]1,2,5-oxadiazole N-oxide
-
-
5-[4-(N-furyl-N'-phenyl)amidinopiperazin-1-ylmethyl]-2,2-dimethyl-2H-benzimidazole 1,3-di-N-oxide
-
-
5-[4-(N-furyl-N'-phenyl)amidinopiperazin-1-ylmethyl]benzo[1,2-c]1,2,5-oxadiazole N-oxide
-
-
5-[4-(N-phenyl-N'-phenylethyl)amidinopiperazin-1-yl methyl]benzo[1,2-c]1,2,5-oxadiazole N-oxide
-
-
7-[(1R)-1-hydroxy-2-(3-hydroxyphenyl)-2-oxoethyl]-2H-isoindole-1-carboxamide
-
aceto[2,6-bis[(butylthio-jS)methyl]phenyl-kappaC]-,(SP-4-3)-palladium(II)
-
-
alpha2-Macroglobulin
40% inhibition at a 1:1 ratio of cruzipain and alpha2-macroglobulin
-
benznidazole
-
presents 80% inhibitory activity against amastigotes in LLC-MK2 cell culture infected with amastigote and trypomastigote forms of the parasite, leads to parasite recrudescence in trypomastigotes on the 15th day at 0.01 mM
ethyl (5Z)-5-([(Z)-N-[(benzyloxy)carbonyl]leucyl]imino)-4-oxo-7-phenylheptanoate
-
guanidine hydrochloride
activates at low concentrations but inhibits above 2 M
hydroxymethylnitrofurazone
-
presents 100% inhibitory activity against amastigotes in LLC-MK2 cell culture infected with amastigote and trypomastigote forms of the parasite, leads to complete inhibition in trypomastigotes at 0.005 mM
L-trans-epoxysuccinylleucylamido(4-guanidino)butane
strong inhibitor
methyl (2E)-[(2Z)-2-[(2Z)-(4-chlorobenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
-
75% inhibition at 0.1 mM inhibitor and 140 nM enzyme
methyl (2E)-[(2Z)-2-[(2Z)-(4-methoxybenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
-
71% inhibition at 0.1 mM inhibitor and 140 nM enzyme
methyl (2E)-[(2Z)-2-[(2Z)-(4-methoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
-
7% inhibition at 0.1 mM inhibitor and 140 nM enzyme
methyl (2E)-[(2Z)-3-methyl-4-oxo-2-[(2Z)-[4-(trifluoromethyl)benzylidene]hydrazinylidene]-1,3-thiazolidin-5-ylidene]ethanoate
-
65% inhibition at 0.1 mM inhibitor and 140 nM enzyme
N'-(furan-2-ylmethyl)-N-phenylpiperazine-1-carboximidamide
-
10% inhibition at 0.1 mM, at pH 5.3, temperature not specified in the publication
N'-benzyl-N-phenylpiperazine-1-carboximidamide
-
5.4% inhibition at 0.1 mM, at pH 5.3, temperature not specified in the publication
N'-[(E)-(2,6-dichlorophenyl)methylidene]-3,4,5-trimethoxybenzohydrazide
-
-
N,N'-diphenylpiperazine-1-carboximidamide
-
6.3% inhibition at 0.1 mM, at pH 5.3, temperature not specified in the publication
N-(1-cyanocyclopropyl)-3-(2,3-dihydro-1H-indol-3-yl)-N2-(3,3,3-trifluoro-2-phenylpropyl)-L-alaninamide
-
N-(1-cyanocyclopropyl)-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4'-(methanesulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-N'-[(1S)-2,2,2-trifluoro-1-phenylethyl]-D-tryptophanamide
-
-
N-(1-cyanocyclopropyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide
-
N-(1-cyanocyclopropyl)-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-N2-[2,2,2-trifluoro-1-(4'-fluoro[1,1'-biphenyl]-4-yl)ethyl]-L-leucinamide
-
N-(1-cyanocyclopropyl)-Nalpha-(2,2,2-trifluoro-1-phenylethyl)-L-phenylalaninamide
-
N-(1-cyanocyclopropyl)-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
-
N-(1-cyanocyclopropyl)-O-methyl-N'-(2,2,2-trifluoro-1-phenylethyl)-L-tyrosinamide
-
-
N-(1-cyanocyclopropyl)-O-methyl-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
-
N-(cyanomethyl)-N2-[(1S)-2,2,2-trifluoro-1-[4'-(1-piperazinyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
-
N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(2Z)-[4-(trifluoromethyl)benzylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
-
27% inhibition at 0.1 mM inhibitor and 140 nM enzyme
N-methyl-2-[(2Z)-4-oxo-2-[(2Z)-(2-sulfanylbenzylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
-
27% inhibition at 0.1 mM inhibitor and 140 nM enzyme
N-phenyl-N'-(2-phenylethyl)piperazine-1-carboximidamide
-
3.2% inhibition at 0.1 mM, at pH 5.3, temperature not specified in the publication
N-[(1R)-1-cyano-2-phenylethyl]-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
-
N-[(1R)-1-cyano-2-phenylethyl]-O-methyl-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
-
N-[(1R)-1-cyano-2-phenylethyl]-O-methyl-Nalpha-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-L-tyrosinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-[4-(pyrimidin-5-yl)phenyl]ethyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-L-leucinamide
-
N-[(1S)-1-cyano-2-phenylethyl]-O-methyl-Nalpha-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-L-tyrosinamide
-
N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
-
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
-
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
-
N2-[(2S)-2-([1,1'-biphenyl]-4-yl)-3,3,3-trifluoropropyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
-
N2-[1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
-
N4-allyl benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
0.1 mM, 36% of inhibition
Nalpha-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
-
Nalpha-[(2R,3E)-2-benzyl-4-(phenylsulfonyl)but-3-enoyl]-N-(morpholin-4-ylcarbonyl)-L-phenylalaninamide
-
-
Nalpha-[(2R,3E)-2-benzyl-4-(phenylsulfonyl)but-3-enoyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide
-
-
Nalpha-[(2S)-2-([1,1'-biphenyl]-4-yl)-3,3,3-trifluoropropyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-phenylalaninamide
-
Nalpha-[(benzyloxy)carbonyl]-N-[(3S)-4-methyl-1,2-dioxo-1-[[(4-sulfamoylphenyl)methyl]amino]pentan-3-yl]-L-phenylalaninamide
reversible inhibitor
Nalpha-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
-
nitrofurazone
-
a 5-nitro-2-furfurylidenesemicarbazone, presents 90% inhibitory activity against amastigotes in LLC-MK2 cell culture infected with amastigote and trypomastigote forms of the parasite, leads to parasite recrudescence in trypomastigotes on the 15th day at 0.005 mM
pregnancy zone protein
50% inhibition at a 1:1 ratio of cruzipain and pregnancy zone protein
-
primaquine
-
active against cruzipain, design of selective prodrugs Lys-Arg-primaquine, Phe-Ala-primaquine, and Phe-Arg-primaquine to be cleaved by the enzyme in vivo and selectively inhibiting it, overview
propeptide of cruzipain
-
PCZ, is also a good inhibitor of brucipain from Trypanosoma brucei. The propeptide of cruzipain does not inhibit human cathepsins S, K or B or papain at the tested concentrations, and moderately inhibits human cathepsin V. Human cathepsin F is very efficiently inhibited (Ki of 32 picomol/L)
-
Triton X-100
-
non-specific inhibition in the presence of 0.02% (v/v) Triton X-100
[(2Z)-2-[(2Z)-(2-fluorobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
-
6% inhibition at 0.1 mM inhibitor and 140 nM enzyme
[(2Z)-2-[(2Z)-(4-chlorobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
-
11% inhibition at 0.1 mM inhibitor and 140 nM enzyme
[(2Z)-2-[(2Z)-(4-methoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
-
38% inhibition at 0.1 mM inhibitor and 140 nM enzyme
[(2Z)-2-[(2Z)-(4-nitrobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
-
4% inhibition at 0.1 mM inhibitor and 140 nM enzyme
[(2Z)-4-oxo-2-[(2Z)-(thiophen-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
-
34% inhibition at 0.1 mM inhibitor and 140 nM enzyme
(2E)-2-[(1H-pyrrol-2-yl)methylidene]hydrazine-1-carbothioamide
0.1 mM, 97.2% inhibition
(2E)-2-[(1H-pyrrol-2-yl)methylidene]hydrazine-1-carbothioamide
97.2% inhibition at 0.1 mM
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
0.1 mM, 89.9% inhibition
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
covalent reversible inhibitor, 89.9% inhibition at 0.1 mM
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
89.9% inhibition at 0.1 mM
(2E)-2-[1-(4-bromophenyl)-3-(3,4-dichlorophenoxy)propan-2-ylidene]hydrazine-1-carbothioamide
0.1 mM, 99.1% inhibition
(2E)-2-[1-(4-bromophenyl)-3-(3,4-dichlorophenoxy)propan-2-ylidene]hydrazine-1-carbothioamide
99% inhibition at 0.1 mM
(2E)-2-[1-([1,1'-biphenyl]-4-yl)-2-(4-bromophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 11.8% inhibition, 23°C, pH 5.5
(2E)-2-[1-([1,1'-biphenyl]-4-yl)-2-(4-bromophenoxy)ethylidene]hydrazine-1-carbothioamide
0.05 mM, 88.9% inhibition, 23°C, pH 5.5
(2E)-2-[2-[(2,5-dimethylphenyl)sulfanyl]ethylidene]hydrazine-1-carbothioamide
0.1 mM, 87.6% inhibition
(2E)-2-[2-[(2,5-dimethylphenyl)sulfanyl]ethylidene]hydrazine-1-carbothioamide
87.6% inhibition at 0.1 mM
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazine-1-carbothioamide
0.1 mM, 91.9% inhibition
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazine-1-carbothioamide
91.9% inhibition at 0.1 mM
(2S)-1-[[(2S)-1-([(2S,3E)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate
-
(2S)-1-[[(2S)-1-([(2S,3E)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate
gallinamide
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(naphthalen-2-yl)-2,3-dihydro-1,3-thiazole
0.1 mM, 88.2% inhibition
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(naphthalen-2-yl)-2,3-dihydro-1,3-thiazole
88.2% inhibition at 0.1 mM
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole
0.1 mM, 99.5% inhibition
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole
99.5% inhibition at 0.1 mM
1-(1H-imidazol-1-yl)-2-(3-methylphenoxy)ethan-1-one
0.1 mM, 9% inhibition
1-(1H-imidazol-1-yl)-2-(3-methylphenoxy)ethan-1-one
9% inhibition at 0.1 mM
2-phenoxy-N-[2-[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]ethyl]acetamide
0.1 mM, 92% inhibition
2-phenoxy-N-[2-[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]ethyl]acetamide
92% inhibition at 0.1 mM
2-phenoxy-N-[2-[1-(3-phenoxypropyl)-1H-benzimidazol-2-yl]ethyl]acetamide
0.1 mM, 81% inhibition
2-phenoxy-N-[2-[1-(3-phenoxypropyl)-1H-benzimidazol-2-yl]ethyl]acetamide
81% inhibition at 0.1 mM
2-[(1E)-1-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl]pyridine
0.1 mM, 93% inhibition
2-[(1E)-1-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl]pyridine
93% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 81% inhibition
2-[(1E)-1-[2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
81% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 89% inhibition
2-[(1E)-1-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
89% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 89% inhibition
2-[(1E)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
89% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 95% inhibition
2-[(1E)-1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
95% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 90% inhibition
2-[(1E)-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
90% inhibition at 0.1 mM
2-[(1E)-1-[2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.1 mM, 94% inhibition
2-[(1E)-1-[2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
94% inhibition at 0.1 mM
2-[(1H-imidazole-1-carbonyl)amino]ethyl 1-methyl-1H-pyrazole-5-carboxylate
0.1 mM, 100% inhibition
2-[(1H-imidazole-1-carbonyl)amino]ethyl 1-methyl-1H-pyrazole-5-carboxylate
complete inhibition at 0.1 mM
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-chlorobenzoate
0.1 mM, 100% inhibition
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-chlorobenzoate
complete inhibition at 0.1 mM
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-methylfuran-2-carboxylate
0.1 mM, 100% inhibition
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-methylfuran-2-carboxylate
complete inhibition at 0.1 mM
2-[(1H-imidazole-1-carbonyl)amino]ethyl 8-bromonaphthalene-1-carboxylate
0.1 mM, 100% inhibition
2-[(1H-imidazole-1-carbonyl)amino]ethyl 8-bromonaphthalene-1-carboxylate
complete inhibition at 0.1 mM
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4,5-dimethyl-1,3-thiazole
0.1 mM, 84% inhibition
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4,5-dimethyl-1,3-thiazole
84% inhibition at 0.01 mM
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4-methyl-1,3-thiazole
0.1 mM, 97% inhibition
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4-methyl-1,3-thiazole
97% inhibition at 0.01 mM
2-[(E)-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]pyridine
0.1 mM, 86% inhibition
2-[(E)-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]pyridine
86% inhibition at 0.1 mM
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
-
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
Neq42
3-methylphenyl [(1H-imidazole-1-carbonyl)amino]acetate
0.1 mM, 100% inhibition
3-methylphenyl [(1H-imidazole-1-carbonyl)amino]acetate
complete inhibition at 0.1 mM
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
shows trypanocidal activity, promising structure in the search for new agents to treat Chagas disease
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
-
4-methyl-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
0.1 mM, 7% inhibition
4-methyl-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
7% inhibition at 0.1 mM
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
95% inhibition at 0.1 mM
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
-
benzyl [(1H-imidazole-1-carbonyl)amino]acetate
0.1 mM, 100% inhibition
benzyl [(1H-imidazole-1-carbonyl)amino]acetate
complete inhibition at 0.1 mM
ethyl (2E,5R)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
0.02 mM, 100% inhibition
ethyl (2E,5R)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
-
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
0.02 mM, 100% inhibition
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
-
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-4-methylpentanoyl]amino]-4-oxo-7-phenylhept-2-enoate
0.02 mM, 100% inhibition
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-4-methylpentanoyl]amino]-4-oxo-7-phenylhept-2-enoate
-
ethyl 2-[(Z)-[4-phenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
0.1 mM, 97% inhibition
ethyl 2-[(Z)-[4-phenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
97% inhibition at 0.01 mM
Lapachol
i.e. (2-hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone), 0.1 mM, 35.0% inhibition
N-(1-cyanocyclopropyl)-N2-(5-phenylfuran-2-carbonyl)-D-leucinamide
-
N-(1-cyanocyclopropyl)-N2-(5-phenylfuran-2-carbonyl)-D-leucinamide
TCMDC-143383
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
0.1 mM, 100% inhibition
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
complete inhibition at 0.1 mM
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
92% inhibition at 0.1 mM
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
-
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-hydroxynaphthalen-2-yl)oxy]acetamide
0.1 mM, 96% inhibition
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-hydroxynaphthalen-2-yl)oxy]acetamide
96% inhibition at 0.1 mM
N-[2-(2-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(2-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3,4-difluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3,4-difluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-chlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-chlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-cyanophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-cyanophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-fluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-fluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-iodophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-iodophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-methoxyphenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-methoxyphenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-4-carboxamide
0.1 mM, 2% inhibition
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-4-carboxamide
2% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-1-carboxamide
0.1 mM, 78% inhibition
N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-1-carboxamide
78% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-1-carboxamide
0.1 mM, 51% inhibition
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-1-carboxamide
51% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrolo[3,2-b]pyridine-1-carboxamide
0.1 mM, 93% inhibition
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrolo[3,2-b]pyridine-1-carboxamide
93% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]-N'-pyridin-4-ylurea
0.1 mM, 3% inhibition
N-[2-(3-methylphenoxy)ethyl]-N'-pyridin-4-ylurea
3% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]morpholine-4-carboxamide
0.1 mM, 9% inhibition
N-[2-(3-methylphenoxy)ethyl]morpholine-4-carboxamide
9% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
0.1 mM, 17% inhibition
N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
17% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
0.1 mM, 8% inhibition
N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
8% inhibition at 0.1 mM
N-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
0.1 mM, 4% inhibition
N-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
4% inhibition at 0.1 mM
N-[2-(3-nitrophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(3-nitrophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-(4-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-(4-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[(1-bromonaphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[(1-bromonaphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[(6-bromopyridin-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[(6-bromopyridin-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[(naphthalen-1-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[(naphthalen-1-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[methyl(3-methylphenyl)amino]-2-oxoethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[methyl(3-methylphenyl)amino]-2-oxoethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
N-[2-[methyl(3-methylphenyl)amino]ethyl]-1H-imidazole-1-carboxamide
0.1 mM, 100% inhibition
N-[2-[methyl(3-methylphenyl)amino]ethyl]-1H-imidazole-1-carboxamide
complete inhibition at 0.1 mM
Nalpha-[(3-chlorophenyl)acetyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
pKi: 6.6 (-log(Ki/M))
Nalpha-[(3-chlorophenyl)acetyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
pKi: 6,4 (-log(Ki/M))
K11777
-
the chemotherapeutical drug targets the major cysteine protease cruzain and disrupts amastigote intracellular development. The mechanism of drug resistance, in primary epimastigotes, is due to secretion of inactive, unprocessed cruzain
L-kininogen
high molecular weight kininogen, inhibition decreases 10fold in presence of 0.1 mM heparan sulfate
-
N-(cyanomethyl)-N2-[(1S)-2,2,2-trifluoro-1-[4'-(1-piperazinyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz008, reversible inhibitor
-
N-(cyanomethyl)-N2-[(1S)-2,2,2-trifluoro-1-[4'-(1-piperazinyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz008, potent inhibitor
-
N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz007, reversible inhibitor
-
N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[biphenyl]-4-yl]ethyl]-L-leucinamide
i.e. Cz007, potent inhibitor
-
trans-epoxysuccinyl-L-leucylamido-(4-guanidino)butane
-
irreversible inhibitor
additional information
the AS2 site as a target for the design of cruzain inhibitors is limited
-
additional information
apolar substituents or halogen atom substitution at the aryl position improved cruzain inhibition and antiparasitic activity in comparison to unsubstituted thiosemicarbazone
-
additional information
-
apolar substituents or halogen atom substitution at the aryl position improved cruzain inhibition and antiparasitic activity in comparison to unsubstituted thiosemicarbazone
-
additional information
nitrile-based inhibitors are efficient inhibitors of cruzain that bind by forming a covalent bond with this enzyme
-
additional information
computer-aided design of 1,4-naphthoquinone-based inhibitors targeting cruzain
-
additional information
a QSAR model for the inhibitory activity of thiosemicarbazones on cruzain is developed based on activity data taken from the literature
-
additional information
conventional and innovative computer-aided drug design approaches to identify inhibitors of cruzipain
-
additional information
study of the dynamic behavior of the cruzain enzyme in free and complexed forms with competitive and noncovalent benzimidazole inhibitors. The results indicate a pattern in the behavior of systems complexed with competitive and non-covalent inhibitors, which can be a possible factor related to the inhibition of enzymatic activity
-
additional information
-
pharmacoinformatics approaches such as virtual screening, molecular docking, de novo ligand design, in silico pharmacokinetics, and molecular dynamics are adopted to design potential cruzain inhibitors for therapeutic application in Chagas disease
-
additional information
pharmacoinformatics approaches such as virtual screening, molecular docking, de novo ligand design, in silico pharmacokinetics, and molecular dynamics are adopted to design potential cruzain inhibitors for therapeutic application in Chagas disease
-
additional information
integrated structure-based drug design approach involving compound libraries, virtual screening, organic synthesis, molecular modeling, protein target-based, phenotypic, and in vivo studies leads to the discovery of potent, reversible, and nonpeptidic cruzain inhibitors with significant trypanocidal activity
-
additional information
synthesis and biological evaluation in vitro and in silico of N-propionyl-N'-benzeneacylhydrazone derivatives as cruzain inhibitors of Trypanosoma cruzi
-
additional information
a docking protocol against cruzipain is applied to a library of 50 sorted natural compounds. Compounds are further analysed for binding mode and interactions with cruzipain active site, conformational alignment studies and in-silico pharmacokinetic studies so as to predict their plausible anti-cruzipain mechanism. The results provided computational insights into the molecular interaction of naturals against Trypanosoma cruzi cruzipain. Study leads to identification of hinokiflavone as reasonably promising potential natural cruzipain inhibitor
-
additional information
approximation to the design of cruzain allosteric inhibitors. Molecular dynamics simulations, binding free energy calculations and network-based modelling of residue interactions are combined to characterize and compare molecular distinctive features of the apo form and the cruzain-allosteric inhibitor complexes. By using geometry-based criteria on trajectory snapshots, two main allosteric sites suitable for drug targeting are predicted
-
additional information
-
synthesis of 2-hydrazolyl-4-thiazolidinones based on multicomponent reactions and biological evaluation against Trypanosoma cruzi, inhibitory potencies and cytotoxic effects, molecular modeling and QSAR studies, overview. No inhibition by (RS)-2-(2-(2-bromobenzylidene)hydrazono)-3-methyl-4-oxo-5-thiazolidine-N-methylacetamide and (Z)-((2-(4-fluorobenzylidene)hydrazono)-3-methyl-5-methoxycarbonylmethylene)thiazolidin-4-one at 0.1 mM
-
additional information
-
AM1 semi-empirical molecular modeling studies analysing cruzain inhibitory activity, overview
-
additional information
-
synthesis and inhibitory effects against cruzipaon of a series of thirty-three chalcone and seven hydrazide derivatives, overview
-
additional information
-
0.01% (v/v) of Triton X-100 does not interfere with enzyme activity
-
additional information
-
not inhibited by (E)-3-methylacetophenone thiosemicarbazone
-
additional information
not inhibited by (E)-3-methylacetophenone thiosemicarbazone
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
guanidine hydrochloride
activates at low concentrations but inhibits above 2 M
Urea
maximal at 2 M with natural substrates, no activation with synthetic substrates
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.019
2-aminobenzoyl-ARF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
0.0013
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-NH2
-
37°C, pH 5.5
0.0035
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
0.0039
2-aminobenzoyl-FRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
0.0036
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Pro-OH
-
37°C, pH 5.5
0.0023
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Trp-OH
-
37°C, pH 5.5
0.00095
2-aminobenzoyl-RRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
0.0021
N-alpha-benzyloxy-carbonyl-L-phenylalanyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.0025
N-alpha-benzyloxycarbonyl-L-arginyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.0021
N-alpha-benzyloxycarbonyl-L-tyrosyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.038
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
0.163
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.0029
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
0.0036
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
0.0037
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
0.0041
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
0.0043
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
0.0046
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
0.0066
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
0.011
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
0.012
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.9, 25°C, wild-type enzyme
0.017
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.5, 25°C, wild-type enzyme
0.028
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
0.045
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.056
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
0.068
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
0.078
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
0.00054
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
0.00056
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
0.00061
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
0.00062
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
0.00068
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
0.0007
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
0.00077
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
0.00087
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.6, 25°C, wild-type enzyme
0.00088
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
0.0013
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
0.0016
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.0019
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
0.0025
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
0.0052
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
0.0003
2-aminobenzoic acid-KLRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine
recombinant form without C-terminal extension
0.001
2-aminobenzoic acid-KLRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine
-
0.000065
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine
with 0.06 mM heparan sulfate
0.00012
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine
-
0.0006
benzoyl-Phe-Arg-7-amido-4-methylcoumarin
recombinant form without C-terminal extension
-
0.0008
benzyloxycarbonyl-Phe-Arg-aminomethyl coumarin
truncated enzyme
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.1
2-aminobenzoyl-ARF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
4.2
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-NH2
-
37°C, pH 5.5
5.5
2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
2.9
2-aminobenzoyl-FRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
1.4
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Pro-OH
-
37°C, pH 5.5
3.4
2-aminobenzoyl-Phe-Arg-(2,4-dinitrophenyl)-epsilon-NH2-lysine-Trp-OH
-
37°C, pH 5.5
0.13
2-aminobenzoyl-RRF-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
-
37°C, pH 5.5
0.14
N-alpha-benzyloxy-carbonyl-L-phenylalanyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.15
N-alpha-benzyloxycarbonyl-L-arginyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.13
N-alpha-benzyloxycarbonyl-L-tyrosyl-L-alanine-(7-amido-4-methylcoumarin)
-
37°C, pH 6.5
0.017
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.89
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
0.1
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
0.27
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.4
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
0.7
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
1.9
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
3.7
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.5, 25°C, wild-type enzyme
5.8
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
5.8
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.9, 25°C, wild-type enzyme
5.9
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
6.9
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
6.9
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
7.1
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
7.2
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
7.4
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
8
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
13
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
13
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
13
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
13.5
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
13.5
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
13.6
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.6, 25°C, wild-type enzyme
14
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
14
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
14
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
14.1
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
15
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
16
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
17
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
21
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
0.0683
2-aminobenzoic acid-KLRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine
recombinant form without C-terminal extension
0.08
2-aminobenzoic acid-KLRFSKQ-N-(2,4-dinitrophenyl)ethylenediamine
-
0.025
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine
-
0.0583
2-aminobenzoyl-LGMISLMKRPQ-N-(2,4-dinitrophenyl)ethylenediamine
with 0.06 mM heparan sulfate
0.055
benzoyl-Phe-Arg-7-amido-4-methylcoumarin
recombinant form without C-terminal extension
-
2.16
benzyloxycarbonyl-Phe-Arg-aminomethyl coumarin
truncated enzyme
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.2
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
23
benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
1.2
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
5.9
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
6
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
13
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
54
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
70
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
100
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
150
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
160
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
190
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
190
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
200
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
220
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 5.5, 25°C, wild-type enzyme
240
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
480
benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin
pH 9.9, 25°C, wild-type enzyme
250
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 3.5, 25°C, wild-type enzyme
560
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.4, 25°C, wild-type enzyme
680
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 4.1, 25°C, wild-type enzyme
1100
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.0, 25°C, wild-type enzyme
1500
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.0, 25°C, wild-type enzyme
1500
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.5, 25°C, wild-type enzyme
1600
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 5.6, 25°C, wild-type enzyme
1900
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 6.5, 25°C, wild-type enzyme
2100
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.0, 25°C, wild-type enzyme
2600
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.0, 25°C, wild-type enzyme
2600
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 9.0, 25°C, wild-type enzyme
2700
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, wild-type enzyme
2700
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 8.5, 25°C, wild-type enzyme
13000
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin
pH 7.5, 25°C, mutant enzyme E208A
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0363
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
25°C, pH 5.5
0.00125893
(2S)-N-(1-cyanocyclopropyl)-4,4,4-trifluoro-2-([(1S)-2,2,2-trifluoro-1-[4'-(methanesulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino)butanamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00000047
(S)-1-(((S)-1-(((R,E)-5-((R)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
pH not specified in the publication, temperature not specified in the publication
0.00000369
(S)-1-(((S)-1-(((S,E)-5-((R)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-phenylalinate
pH not specified in the publication, temperature not specified in the publication
0.00000108
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
pH not specified in the publication, temperature not specified in the publication
0.00000025
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-valinate
pH not specified in the publication, temperature not specified in the publication
-
0.00000049
(S)-1-(((S)-1-(((S,E)-5-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxopent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
pH not specified in the publication, temperature not specified in the publication
0.00000084
(S)-1-(((S)-1-(((S,E)-5-((S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxo-1-phenylpent-3-en-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl dimethyl-L-isoleucinate
pH not specified in the publication, temperature not specified in the publication
0.003
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine
pH and temperature not specified in the publication
0.0006
2-(3-chloro-4-methoxyanilino)-2-oxoethyl (2S)-2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate
pH and temperature not specified in the publication
0.0185 - 0.0216
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
0.000003
3-[4-[(1S)-1-cyclopentyl-1-[[(pyrazolo[1,5-a]pyrimidin-5-yl)methyl]amino]ethyl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
pH and temperature not specified in the publication
0.004
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
pH and temperature not specified in the publication
0.00000026
gallinamide A
pH not specified in the publication, temperature not specified in the publication
0.00000794328
N-(1-cyanocyclopropyl)-N2-[(1R)-2,2,2-trifluoro-1-(4'-fluoro[1,1'-biphenyl]-4-yl)ethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000199526
N-(1-cyanocyclopropyl)-N2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.0000398107
N-(1-cyanocyclopropyl)-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00251189
N-(1-cyanocyclopropyl)-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.001
N-(1-cyanocyclopropyl)-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00794328
N-(1-cyanocyclopropyl)-O-methyl-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00398107
N-(1-cyanocyclopropyl)-O-methyl-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000398107 - 0.00251189
N-[(1R)-1-cyano-2-phenylethyl]-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
0.000398107
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00000158489
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00000158489
N-[(1S)-1-cyano-2-phenylethyl]-N2-[(1S)-2,2,2-trifluoro-1-[4-(pyrimidin-5-yl)phenyl]ethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00398107
N-[(1S)-1-cyano-2-phenylethyl]-O-methyl-Nalpha-[(1R)-2,2,2-trifluoro-1-phenylethyl]-L-tyrosinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000082
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
pH and temperature not specified in the publication
0.00012
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-1-carboxamide
at pH 5.5 and 30°C
0.0000501187
N2-benzoyl-N-(1-cyanocyclopropyl)-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.0000501187
N2-benzoyl-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.0000630957
N2-[(1R)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000251189
N2-[(1R)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00000794328
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000000630957
N2-[(1S)-1-([1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-phenylethyl]-L-leucinamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.000316228
Nalpha-benzoyl-N-(1-cyanocyclopropyl)-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00316228
Nalpha-[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00199526
Nalpha-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(1-cyanocyclopropyl)-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.0185
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
pH and temperature not specified in the publication
0.0216
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
pH and temperature not specified in the publication
0.000398107
N-[(1R)-1-cyano-2-phenylethyl]-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.00251189
N-[(1R)-1-cyano-2-phenylethyl]-Nalpha-[(1S)-2,2,2-trifluoro-1-phenylethyl]-L-phenylalaninamide
37°C, pH 5.5, recombinant cruzain, consisting of the catalytic domain of cruzipain but excluding the carboxy-terminal extension
0.018
propeptide of cruzipain
-
at pH 6.5 the propeptide of cruzipain inactivates cruzipain competitively
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.2198
(2-butyl-1-benzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
Trypanosoma cruzi
pH and temperature not specified in the publication
0.2198
(2-butyl-1-benzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
Trypanosoma cruzi
pH and temperature not specified in the publication
0.05578
(2E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.02025
(2E)-1-(4-aminophenyl)-3-(1-benzothiophen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00003
(2E)-2-[(2Z)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-ylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00004
(2E)-2-[(3,4-dichlorophenyl)(4-methylphenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00046
(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00056
(2E)-2-[(3,5-dichlorophenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0013
(2E)-2-[(3-bromophenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00008
(2E)-2-[1-(3,4-dichlorophenyl)-2-phenylethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00004
(2E)-2-[1-(3,4-dichlorophenyl)-3-phenylpropylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00005
(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.000019
(2E)-2-[1-(3,4-dichlorophenyl)pentylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0000245
(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0001095
(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0001761
(2E)-2-[1-(3-bromophenyl)propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00022
(2E)-2-[1-(3-chlorophenyl)propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.01
(2E)-2-[1-(4-phenoxyphenyl)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.008
(2E)-2-[1-([1,1'-biphenyl]-3-yl)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0006
(2E)-2-[1-([1,1'-biphenyl]-4-yl)-2-(4-bromophenoxy)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
23°C, pH 5.5
0.005
(2E)-2-[1-([1,1'-biphenyl]-4-yl)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0000415
(2E)-2-[1-[(4-chlorophenyl)sulfanyl]propan-2-ylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00006
(2E)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00002
(2E)-2-[1-[3,5-bis(trifluoromethyl)phenyl]propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00017
(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00005
(2E)-2-[1-[3-(trifluoromethyl)phenyl]propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0033
(2E)-2-[2-[(2,5-dimethylphenyl)sulfanyl]ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000019
(2E)-2-[2-[(3-chlorophenyl)sulfanyl]ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00032
(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00048
(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.03361
(2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.03979
(2E)-3-(2-chlorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.02
(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-(4-bromophenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0000013
(2S)-1-[[(2S)-1-([(2S,3E)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00000009
(2S)-1-[[(2S)-1-[[(3S,4E)-6-[(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-6-oxo-1-phenylhex-4-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-valinate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0011
(2S)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000000081
(2S)-3-cyclohexyl-1-[[(2S)-1-[[(2S,3E)-5-[(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl N,N-dimethyl-L-valinate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0011
(2S,3R)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0113
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3,4-dichlorophenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0151
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3,5-dichlorophenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0146
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(3-nitrophenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0327
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-chlorophenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0165
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0192
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(4-methylphenyl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0095
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-(naphthalen-2-yl)-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0446
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-4-phenyl-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00051
(2Z)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000008
(2Z)-2-[1-(4-bromophenyl)-2-(3,4-dichlorophenoxy)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
23°C, pH 5.5
0.00007
(2Z)-2-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenoxy)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
23°C, pH 5.5
0.0004
(2Z)-2-[1-(4-bromophenyl)-2-(4-fluorophenoxy)ethylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
23°C, pH 5.5
0.034
(2Z)-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)-2-oxonaphthalen-1(2H)-ylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5, temperature not specified in the publication
0.0038
(2Z)-4-(4-bromophenyl)-2-[(2E)-[1-(3-bromophenyl)propylidene]hydrazinylidene]-5-methyl-2,3-dihydro-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.05035
(5R)-5-(3,4-difluorophenyl)-3-[2-[(5S)-5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
Trypanosoma cruzi
23°C, pH 6.8
0.00002
(E)-3,4-dichloropropiophenone thiosemicarbazone
Trypanosoma cruzi
pH 5.5, 30°C
0.000536
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.08437
1-[(5R)-3,5-di(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-([5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl)ethanone
Trypanosoma cruzi
23°C, pH 6.6
0.0006
2-(3-chloro-4-methoxyanilino)-2-oxoethyl (2S)-2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0045
2-(4-acetamidophenoxy)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.033
2-(phenylamino)naphthalene-1,4-dione
Trypanosoma cruzi
pH 5.5, temperature not specified in the publication
-
0.0842
2-bromo-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-5alpha,8alpha-ergotaman
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0842
2-bromo-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0086
2-phenoxy-N-[2-(1-phenyl-1H-benzimidazol-2-yl)ethyl]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00104
2-phenoxy-N-[2-[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]ethyl]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0022
2-phenoxy-N-[2-[1-(3-phenoxypropyl)-1H-benzimidazol-2-yl]ethyl]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0013
2-[(1E)-1-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0048 - 0.0049
2-[(1E)-1-[2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
0.0004
2-[(1E)-1-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0003
2-[(1E)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00004
2-[(1E)-1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0004
2-[(1E)-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00001
2-[(1E)-1-[2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.009
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4,5-dimethyl-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0006
2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-4-methyl-1,3-thiazole
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0013
2-[(E)-[2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0095
2-[(E)-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0185 - 0.0216
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
0.0063
2-[N-(5-methylisoxazol-3-yl)sulfanilamide]naphthalene-1,4-dione
Trypanosoma cruzi
pH 5.5, temperature not specified in the publication
-
0.000003
3-[4-[(1S)-1-cyclopentyl-1-[[(pyrazolo[1,5-a]pyrimidin-5-yl)methyl]amino]ethyl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.05623
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
0.0151
4-nitro-N'-[(E)-(2-oxo-4-phenyl-1,2,5lambda5-oxadiazol-3-yl)methylidene]benzohydrazide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0063
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
0.1
4-[[(2Z)-2-(2-carbamothioylhydrazinylidene)-2-(4-nitrophenyl)ethyl]amino]-4-oxobutanoic acid
Trypanosoma cruzi
pH and temperature not specified in the publication
0.004
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
Trypanosoma cruzi
pH and temperature not specified in the publication
0.015
7-chloro-N-[2-(morpholin-4-yl)ethyl]quinolin-4-amine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00003
benzyl N-carbamothioyl-3,4-dichlorobenzene-1-carbohydrazonate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00002
ethyl (2E,5R)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00002
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-3-phenylpropanoyl]amino]-7-methyl-4-oxooct-2-enoate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00008
ethyl (2E,5S)-5-[[(2R)-2-([[(benzyloxy)carbonyl]amino]methyl)-4-methylpentanoyl]amino]-4-oxo-7-phenylhept-2-enoate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002 - 4
ethyl 2-[(Z)-[4-phenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0083
methyl 6-(2-[[2-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethoxy)naphthalene-1-carboxylate
Trypanosoma cruzi
pH and temperature not specified in the publication
0.034
N'-(4-hydroxy-3-(3-methylbut-2-enyl)-2-oxonaphthalen-1(2H)-ylidene)isonicotinoylhydrazide
Trypanosoma cruzi
pH 5.5, temperature not specified in the publication
-
0.0112
N'-[(E)-(4-methyl-5-oxo-1,2lambda5,5-oxadiazol-3-yl)methylidene]-4-nitrobenzohydrazide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.033
N'-[4-hydroxy-3-(3-methylbut-2-en-1-yl)-2-oxonaphthalen-1(2H)-ylidene]pyridine-4-carbohydrazide
Trypanosoma cruzi
at pH 5.5, temperature not specified in the publication
0.0112
N'[(2-nitrophenyl)methylidene]benzeneacylhydrazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00003025
N-(1-cyanocyclopropyl)-N2-(5-phenylfuran-2-carbonyl)-D-leucinamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00169
N-(2-[1-[2-(benzyloxy)ethyl]-1H-benzimidazol-2-yl]ethyl)-2-phenoxyacetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.07866
N-propionyl-N'[(4-ethylphenyl)methylidene]benzeneacylhydrazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.16628
N-propionyl-N'[(4-fluorophenyl)methylidene]benzeneacylhydrazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0011
N-[2-(1-benzyl-1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0086
N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0008
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0008
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-bromophenoxy)acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0027
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenoxy)acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0002 - 0.00021
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
0.0034
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(6-hydroxynaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0023
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(6-methoxynaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0027
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-hydroxynaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00012
N-[2-[(naphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
pH and temperature not specified in the publication
1.41
N-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide
Trypanosoma cruzi
23°C, pH 6.5
0.023
N1-(7-chloroquinolin-4-yl)-N2-(prop-2-yn-1-yl)ethane-1,2-diamine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0025
N2-(4-chlorophenyl)-N4-[2-(morpholin-4-yl)ethyl]quinazoline-2,4-diamine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00006783
N2-benzoyl-N-(1-cyanocyclopropyl)-D-leucinamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00076
Nalpha-[(benzyloxy)carbonyl]-N-[(1E,3S)-1-(1-methylpyridin-1-ium-2-yl)-5-phenylpent-1-en-3-yl]-L-phenylalaninamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00044
Nalpha-[(benzyloxy)carbonyl]-N-[(2S,3Z)-4-nitrobut-3-en-2-yl]-L-phenylalaninamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00008
(1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 80 nM
0.00004
(1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 40 nM
0.000019
(1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 19 nM
0.00003
(1E)-1-(3,4-dichlorophenyl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 30 nM
0.00031
(1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 310 nM
0.00003
(1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 30 nM
0.00003
(1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one thiosemicarbazone
Trypanosoma cruzi
-
IC50: 30 nM
0.000015
(2(1H)-pyridinethionato-kappaS2)[2,6-bis[(mercapto-KappaS)methyl]pyridine-kappaN1] oxorhenium(V)
Trypanosoma cruzi
-
-
0.025
(2E)-1-(1,3-benzodioxol-5-yl)-3-(1-naphthyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.02
(2E)-1-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.025
(2E)-1-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-1-(1,3-benzodioxol-5-yl)-3-(3-methoxy-4-phenoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.046
(2E)-1-(1,3-benzodioxol-5-yl)-3-(4-buthoxyphenyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.023
(2E)-1-(1,3-benzodioxol-5-yl)-3-(5-methylfuran-2-yl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.022
(2E)-1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.048
(2E)-1-(2',4',5'-trimethoxyphenyl)-3-(1-naphthyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.1
(2E)-1-(2',4',5'-trimethoxyphenyl)-3-(thiophen-2-yl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.037
(2E)-1-(2'-hydroxy,3'-bromo,4',6'-dimethoxyphenyl)-3-(1-naphthyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.082
(2E)-1-(2'-hydroxy-3'-bromo-4',6'-dimethoxyphenyl)-3-(4-buthoxyphenyl)-2-propen-1- one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.1
(2E)-1-(2,4-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.025
(2E)-1-(2-naphthyl)-3-(2,6-dimethoxyphenyl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.025
(2E)-1-(2-naphthyl)-3-(5-methylfuran-2-yl)-2-propen-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.045
(2E)-1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.02
(2E)-1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.035
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.03
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-3-phenylprop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.025
(2E)-1-(4-hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.00002
(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0001
(2E)-2-[1-(3-bromophenyl)propylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.1
(2E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.02
(2E)-3-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-3-(1,3-benzodioxol-5-yl)-1-(naphthalen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.1
(2E)-3-(3-methoxyphenyl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.03
(2E)-3-(4-bromophenyl)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-3-(4-fluorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.037
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-N'-(3'-bromo-4'-hydroxy-5'-methoxybenzilidene)-3,4,5-trimethoxybenzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.047
(2E)-N'-(4'-buthoxybenzilidene)-3,4,5-trimethoxybenzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.05
(2E)-N'-(4'-hydroxy-5'-methoxybenzilidene)-3,4,5-trimethoxybenzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.000003
(3S)-3-[4-[(1S)-1-cyclopentyl-1-[[(pyrazolo[1,5-a]pyrimidin-5-yl)methyl]amino]ethyl]-1H-1,2,3-triazol-1-yl]-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one
Trypanosoma cruzi
at pH 5.5 and 30°C
0.01
(3S,5R,10R)-N-benzyl-3-(2-methylpropyl)-2-oxo-10-[(E)-2-(phenylsulfonyl)ethenyl]-1,4-diazecane-5-carboxamide
Trypanosoma cruzi
-
above 0.01 mM
0.0002
(3S,5R,11R)-N-benzyl-3-(2-methylpropyl)-2-oxo-11-[(E)-2-(phenylsulfonyl)ethenyl]-1,4-diazacycloundecane-5-carboxamide
Trypanosoma cruzi
-
-
0.016
(3Z)-5,7-dimethyl-1H-indole-2,3-dione 3-thiosemicarbazone
Trypanosoma cruzi
-
IC50: 0.016 mM
0.021
(3Z)-5-chloro-1H-indole-2,3-dione 3-thiosemicarbazone
Trypanosoma cruzi
-
IC50: 0.021 mM
0.0105
(3Z)-5-chloro-7-methyl-1H-indole-2,3-dione 3-thiosemicarbazone
Trypanosoma cruzi
-
IC50: 0.0105 mM
0.02 - 0.05
(3Z)-5-methyl-1H-indole-2,3-dione 3-thiosemicarbazone
Trypanosoma cruzi
-
IC50: 0.02-0.05 mM
0.00003
(E)-(3,4-dichlorophenyl)(2-phenylcyclopropyl)methanone thiosemicarbazone
Trypanosoma cruzi
-
IC50: 30 nM
0.00004
(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone
Trypanosoma cruzi
-
IC50: 40 nM
0.002057
(E)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00085
(E)-1-(1,3-benzodioxol-5-yl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001981
(E)-1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000147
(E)-3,4-dichloroacetophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0000816
(E)-3,4-dichlorobenzaldehyde thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0000695
(E)-3,4-dichloropropiophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.000536
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000881
(E)-3-(5-chlorothiophen-2-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002044
(E)-3-(5-chlorothiophen-2-yl)-1-(2,5-chlorothiophenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002049
(E)-3-(5-chlorothiophen-2-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000872
(E)-3-(5-chlorothiophen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002033
(E)-3-(5-chlorothiophen-2-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001874
(E)-3-(5-chlorothiophen-2-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00117
(E)-3-(5-chlorothiophen-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001956
(E)-3-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002044
(E)-3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002067
(E)-3-(5-chlorothiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001457
(E)-3-(5-chlorothiophen-2-yl)-1-(naphtalen-1-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001696
(E)-3-(5-chlorothiophen-2-yl)-1-(naphthalen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00225
(E)-3-(5-chlorothiophen-2-yl)-1-phenylprop-2-en-1-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000153
(E)-3-bromopropiophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0299
(E)-3-chloroacetophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.1046
(E)-3-chlorobenzaldehyde thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0232
(E)-3-chloropropiophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.000753
(E)-3-nitropropiophenone thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.003
(E)-cyclohexyl(3,4-dichlorophenyl)methanone thiosemicarbazone
Trypanosoma cruzi
-
IC50: 3000 nM
0.005
(methanethiolato)[2,2'-(thio-kappaS)bis[ethanethiolato-kappaS]] oxorhenium (V)
Trypanosoma cruzi
-
-
0.00035
(p-methoxyphenylthiolato-S)[2,6-bis[(mercapto-kappaS)methyl]pyridine-kappaN] oxorhenium(V)
Trypanosoma cruzi
-
-
0.0028
1-(biphenyl-2-ylmethyl)-5-methyl-1H-indole-2,3-dione
Trypanosoma cruzi
-
IC50: 0.0028 mM
0.15
2-(N-2-methoxy-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
Trypanosoma cruzi
-
above 0.15 mM
0.1
2-(N-2-methyl-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
Trypanosoma cruzi
-
above 0.1 mM
0.1
2-(N-2-methyl-benzylidenehydrazino)-6-methyl-4-trifluoromethyl-pyrimidine
Trypanosoma cruzi
-
above 0.1 mM
0.1
2-(N-4-chloro-benzylidenehydrazino)-6-methyl-4-trifluoro-methyl-pyrimidine
Trypanosoma cruzi
-
about 0.1 mM
0.1
2-(N-4-methoxy-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
Trypanosoma cruzi
-
above 0.1 mM
0.1
2-(N-4-methyl-benzylidenehydrazino)-4-trifluoromethyl-pyrimidine
Trypanosoma cruzi
-
above 0.1 mM
0.1
2-(N-4-nitro-benzylidenehydrazino)-4-trifluoromethylpyrimidine
Trypanosoma cruzi
-
about 0.1 mM
0.15
2-(N-benzylidenehydrazino)-4-trifluoromethylpyrimidine
Trypanosoma cruzi
-
above 0.15 mM
0.068
2-[(benzofuroxan-5-yl)methylene]-1-(2-hydroxybenzylidene)hydrazine
Trypanosoma cruzi
-
-
0.073
2-[(benzofuroxan-5-yl)methylene]-1-(5-bromo-2-hydroxybenzylidene)hydrazine
Trypanosoma cruzi
-
-
0.06
3,4,5-trimethoxy-N'-[(E)-(4-nitrophenyl)methylidene]benzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.04
3,4,5-trimethoxy-N'-[(E)-naphthalen-1-ylmethylidene]benzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.1
4-(benzofuroxan-5-ylmethyloxy)benzaldehyde semicarbazone
Trypanosoma cruzi
-
above 0.1 mM
0.00007
aceto[2,6-bis[(butylthio-jS)methyl]phenyl-kappaC]-,(SP-4-3)-palladium(II)
Trypanosoma cruzi
-
-
0.00004
chloro[2,2'-(thio-kappaS)bis[ethanethiolato-kappaS]] oxorhenium(V)
Trypanosoma cruzi
-
-
0.0007
diaceto[2-[(2-pyridinyl-kappaN)methyl]-phenyl-kappaC]Au(III)-,(SP-4-3)
Trypanosoma cruzi
-
-
0.05
N'-[(E)-(2,6-dichlorophenyl)methylidene]-3,4,5-trimethoxybenzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.055
N'-[(E)-(4-bromophenyl)methylidene]-3,4,5-trimethoxybenzohydrazide
Trypanosoma cruzi
-
pH 6.5, 22°C
0.1
N4-allyl benzofuroxan-5-carboxaldehyde thiosemicarbazone
Trypanosoma cruzi
-
above 0.1 mM
0.000004
Nalpha-[(2R,3E)-2-benzyl-4-(phenylsulfonyl)but-3-enoyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide
Trypanosoma cruzi
-
-
0.00000064
Nalpha-[(benzyloxy)carbonyl]-N-[(3S)-4-methyl-1,2-dioxo-1-[[(4-sulfamoylphenyl)methyl]amino]pentan-3-yl]-L-phenylalaninamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.009
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
25°C, pH 5.5
0.009
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.000175
(E)-1-(3',4'-dichlorophenyl)-3-(imidazole-1-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
pH 5.5, 30°C
0.000175
(E)-1-(3',4'-dichlorophenyl)-3-(imidazole-1-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00000334
(E)-1-(3',4'-dichlorophenyl)-3-(morpholin-4-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
pH 5.5, 30°C
0.00000334
(E)-1-(3',4'-dichlorophenyl)-3-(morpholin-4-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00000286
(E)-1-(3',4'-dichlorophenyl)-3-(piperidin-1-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
pH 5.5, 30°C
0.00000286
(E)-1-(3',4'-dichlorophenyl)-3-(piperidin-1-yl)propan-1-one thiosemicarbazone
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0048
2-[(1E)-1-[2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0049
2-[(1E)-1-[2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]ethyl]pyridine
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0048
2-[(1H-imidazole-1-carbonyl)amino]ethyl 1-methyl-1H-pyrazole-5-carboxylate
Trypanosoma cruzi
30°C, pH 5.5
0.0048
2-[(1H-imidazole-1-carbonyl)amino]ethyl 1-methyl-1H-pyrazole-5-carboxylate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0007
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-chlorobenzoate
Trypanosoma cruzi
30°C, pH 5.5
0.0007
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-chlorobenzoate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00323
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-methylfuran-2-carboxylate
Trypanosoma cruzi
30°C, pH 5.5
0.00323
2-[(1H-imidazole-1-carbonyl)amino]ethyl 3-methylfuran-2-carboxylate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00075
2-[(1H-imidazole-1-carbonyl)amino]ethyl 8-bromonaphthalene-1-carboxylate
Trypanosoma cruzi
30°C, pH 5.5
0.00075
2-[(1H-imidazole-1-carbonyl)amino]ethyl 8-bromonaphthalene-1-carboxylate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0185
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0216
2-[2-([4-benzyl-5-[(piperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetamido]thiophene-3-carboxamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.002
3-methylphenyl [(1H-imidazole-1-carbonyl)amino]acetate
Trypanosoma cruzi
30°C, pH 5.5
0.002
3-methylphenyl [(1H-imidazole-1-carbonyl)amino]acetate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.05623
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
Trypanosoma cruzi
23°C, pH 6.7
0.05623
4-amino-6-methyl-3-([2-[(5R)-3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]sulfanyl)-1,2,4-triazin-5(4H)-one
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0063
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
Trypanosoma cruzi
at pH 5.5, temperature not specified in the publication
0.0063
4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0006
benzyl [(1H-imidazole-1-carbonyl)amino]acetate
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00002
E-64
Trypanosoma cruzi
at pH 5.5, temperature not specified in the publication
0.0002
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.00021
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
30°C, pH 5.5
0.00021
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00021
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-bromonaphthalen-2-yl)oxy]acetamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.0028
N-[2-(2-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0028
N-[2-(2-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0018
N-[2-(3,4-difluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0018
N-[2-(3,4-difluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00041
N-[2-(3-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.00041
N-[2-(3-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00057
N-[2-(3-chlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.00057
N-[2-(3-chlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0018
N-[2-(3-cyanophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0018
N-[2-(3-cyanophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00017
N-[2-(3-fluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0017
N-[2-(3-fluorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00036
N-[2-(3-iodophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.00036
N-[2-(3-iodophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0025
N-[2-(3-methoxyphenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0025
N-[2-(3-methoxyphenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.001
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.001
N-[2-(3-methylphenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0062
N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0062
N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.077
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.077
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0032
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrolo[3,2-b]pyridine-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0032
N-[2-(3-methylphenoxy)ethyl]-1H-pyrrolo[3,2-b]pyridine-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0005
N-[2-(3-nitrophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0005
N-[2-(3-nitrophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0031
N-[2-(4-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0031
N-[2-(4-bromophenoxy)ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00012
N-[2-[(1-bromonaphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.00012
N-[2-[(1-bromonaphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00012
N-[2-[(1-bromonaphthalen-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
pH and temperature not specified in the publication
0.003
N-[2-[(6-bromopyridin-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.003
N-[2-[(6-bromopyridin-2-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.00066
N-[2-[(naphthalen-1-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.00066
N-[2-[(naphthalen-1-yl)oxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0005
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0005
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0006
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0006
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.0062
N-[2-[methyl(3-methylphenyl)amino]-2-oxoethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.0062
N-[2-[methyl(3-methylphenyl)amino]-2-oxoethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.000525
N-[2-[methyl(3-methylphenyl)amino]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
30°C, pH 5.5
0.000525
N-[2-[methyl(3-methylphenyl)amino]ethyl]-1H-imidazole-1-carboxamide
Trypanosoma cruzi
at pH 5.5 and 30°C
0.05
(2E)-3-(4-methoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
0.06
(2E)-3-(4-methoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one
Trypanosoma cruzi
-
pH 6.5, 22°C
SPECIFIC ACTIVITY [µmol/min/mg]
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
4.5
-
hydrolysis of 2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
6 - 7
-
hydrolysis of 2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-NH2
6.5
6.8
7.6
additional information
6.5
-
assay at room temperature, 5 min, 0.64 nM cruzain, 50 mM sodium phosphate, 100 mM sodium chloride, 5 mM EDTA
8
-
30 min, 50 mM Tris-acetate buffer, 0.3 mM Bz-Pro-Phe-Arg-pNA, 10 mM beta-mercaptoethanol
additional information
substrates placing hydrophobic residues in the specificity pocket are cleaved at a broader pH range than hydrophilic substrates
additional information
-
substrates placing hydrophobic residues in the specificity pocket are cleaved at a broader pH range than hydrophilic substrates
pH RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
3.5 - 9
-
pH 3.5: about 65% of maximal activity, pH 6.5-9.0: about 55% of maximal activity, hydrolysis of 2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-OH
4.5 - 7.4
hydrophobic substrates reach 50% activity at pH 4.5 and maintain full activity above pH 7.5, more hydrophilic side chains only reach 50% activity at pH 5.5-6
4.5 - 9
-
pH 4.5: about 45% of maximal activity, pH 9.0: about 45% of maximal activity, hydrolysis of 2-aminobenzoyl-FRA-(2,4-dinitrophenyl)-epsilon-NH2-lysine-NH2
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
37
additional information
additional information
-
assay at room temperature, pH 6.5, 5 min, 0.64 nM cruzain, 50 mM sodium phosphate, 100 mM sodium chloride, 5 mM EDTA
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
SOURCE
-
studies are carried out using murine macrophage cell line J774 as well as bone marrow-derived macrophages from BALB/c mice
LOCALIZATION
ORGANISM
UNIPROT
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
-
the signaling factor NF-kB P65 colocalizes with cruzain on the cell surface of intracellular wild-type parasites
-
membrane bound compartments between nucleus and kinetoplast
-
Highest Expressing Human Cell Lines
Cell Line LinksGENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
drug target
metabolism
the enzyme is expressed by the protozoan parasite Trypanosoma cruzi during Chagas disease infection
physiological function
evolution
-
the O-GlcNAc moieties constitute a common epitope between cruzipain and either myosin or other cardiac O-GlcNAc-containing proteins
malfunction
-
cruzain-deficient Trypanosoma cruzi rapidly activates host macrophages via NF-kB P65 and is unable to survive intracellularly within macrophages. No significant IL-12 expression occurs in macrophages infected with wild-type Trypanosoma cruzi and treated with lipopolysacchrides and brefeldin A, confirming impairment of macrophage activation pathways
physiological function
drug target
the enzyme is a promising targets for designing inhibitors against Chagas disease and Human African Trypanosomiasis that are caused by Trypanosoma cruzi and Trypanosoma brucei parasites, respectively
drug target
cruzain is commonly targeted in drug discovery efforts to find new treatments for Chagas disease. Cruzain inhibitors seem to occupy specific regions of the chemical space that cannot be easily correlated with Trypanosoma cruzi activity
drug target
inhibition of cruzain affects the growth and differentiation of the different forms of Trypanosoma cruzi
drug target
structure- and ligand-based studies of thiophen-chalcone cruzain inhibitors for therapeutic application in Chagas disease
drug target
cruzain is an enzyme that plays a vital role in the life cycle of the etiologic agent, the protozoan Trypanosoma cruzi, being relevant as a therapeutic target in the treatment of Chagas disease
drug target
pharmacoinformatics approaches such as virtual screening, molecular docking, de novo ligand design, in silico pharmacokinetics, and molecular dynamics are adopted to design potential cruzain inhibitors for therapeutic application in Chagas disease
drug target
cruzain, the main cysteine protease of Trypanosoma cruzi, is a validated target for developing drug candidates for Chagas disease
physiological function
cruzain is the major cysteine protease involved in the survival of the parasite Trypanosoma cruzi
physiological function
the enzyme is the etiological agent of Chagas disease
physiological function
key enzyme for the survival and propagation of this parasite lifecycle
physiological function
the enzyme is essential for the parasite Trypanosoma cruzi
physiological function
essential role in parasite development. The enzyme exhibits pleiotropic effects by acting as a virulence factor, modulating host immune cells, and interacting with host cells
physiological function
the enzyme plays a vital role in the life cycle of the etiologic agent, the protozoan Trypanosoma cruzi
physiological function
-
infection with wild-type parasites appears to induce cruzain-mediated proteolysis of NF-kappaB P65 leading to unresponsiveness of the host macrophage during early 60 min of infection. This immune evasion mechanism may be critical for Trypaosoma cruzi survival during early natural infection with a low number of trypmastigotes. The signaling factor NF-kappaB P65 colocalizes with cruzain on the cell surface of intracellular wild-type parasites, and is proteolytically cleaved. Transcription factor NF-kappaB P65 is translocated to the nucleus and activated only in macrophages infected with cruzain-deficient parasites
physiological function
-
cruzipain promotes Trypanosoma cruzi adhesion to Rhodnius prolixus midgut
UNIPROT
ENTRY NAME
ORGANISM
NO. OF AA
NO. OF TRANSM. HELICES
MOLECULAR WEIGHT[Da]
SOURCE
SEQUENCE
LOCALIZATION PREDICTION
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable).
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable). PDB
SCOP
CATH
UNIPROT
ORGANISM
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
12000
-
x * 12000, non-adsorbed (to concanavalin A-Sepharose) cruzipain isoform, SDS-PAGE
50000
SUBUNIT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
?
-
x * 12000, non-adsorbed (to concanavalin A-Sepharose) cruzipain isoform, SDS-PAGE
POSTTRANSLATIONAL MODIFICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
glycoprotein
glycoprotein
N-glycosylation at Asn254, no O-glycosylation or phosphorylation
glycoprotein
-
presence of sialic acid in N-linked oligosaccharide chains and O-linked N-acetylglucosamine
glycoprotein
-
sulfated high-mannose type oligosaccharides, lactosaminic glycans and fucosylated oligosaccharides
glycoprotein
-
single units of O-linked N-acetylglucosamine, usually components of nuclear and cytoplasmatic proteins, are present at the C-terminal domain of cruzipain. They show participation of in the molecular antigenicity of cruzipain. The immune cross-reactivity between cruzipain and myosin, in murine heart tissue, is mainly focused in the C-T domain. The O-GlcNAc moieties constitute a common epitope between cruzipain and either myosin or other cardiac O-GlcNAc-containing proteins
CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
cruzain crystals diffract to 1.2 A resolution, yielding two novel cruzain structures: apocruzain and cruzain bound to the reversible covalent inhibitor S-methyl thiomethanesulfonate. Mass-spectrometric experiments confirm the presence of a methylthiol group attached to the catalytic cysteine
bound to benzoyl-Arg-Ala-fluoromethyl ketone and benzoyl-Tyr-Ala-fluoromethyl ketone, hanging drop vapor diffusion method
enzyme lacking the C-terminal domain, complexed with benzyloxycarbonyl-Phe-Ala-fluoromethylketone
PROTEIN VARIANTS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
E208A
the mutant enzyme recognizes benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin less effectively than wild-type cruzain does, turnover of the substrate is comparable, suggesting that once bound, mutant cruzain processes benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarinat rates similar to that of the wild-type enzyme. Diminutions by 300fold and 200fold in the kcat/Km values of benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin and benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin, respectively, are observed for the E208A mutant cruzain compared to that of the wild type, suggesting that ion pairing between Glu208 and P2 Arg is essential for recognition of these substrates. This is also reflected in values of Km, which are increased for benzyloxycarbonyl-Arg-Arg-7-amido-4-methylcoumarin (10fold) and benzyloxycarbonyl-Arg-Ala-7-amido-4-methylcoumarin (4fold)
pH STABILITY
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
additional information
additional information
stable at neutral pH, inactivation studies over a pH range from pH 2.15 to pH 10
additional information
-
enzymatically active and stable in neutral/acidic pH
TEMPERATURE STABILITY
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
5 - 37
inactivation at pH 2.25 and pH 10 increases with increasing temperature
GENERAL STABILITY
ORGANISM
UNIPROT
LITERATURE
STORAGE STABILITY
ORGANISM
UNIPROT
LITERATURE
PURIFICATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
CLONED (Commentary)
ORGANISM
UNIPROT
LITERATURE
expression of cruzipain truncated in the C-terminal extension in Escherichia coli strains M15 and DH5alpha
-
full-length propeptide of cruzipain is cloned by PCR and expressed in Escherichia coli as a fusion protein with a 6xHis tag at the N-terminus
-
EXPRESSION
ORGANISM
UNIPROT
LITERATURE
N'-propionyl-N''-[(4-ethylphenyl)methylidene]benzeneacylhydrazone and N-propionyl-N''-[(4-fluorophenyl)methylidene]benzeneacylhydrazone significantly increase the expression of the enzyme gene
N-propionyl-N'-[(4-ethylphenyl)methylidene]benzeneacylhydrazone and N-propionyl-N'-[(4-fluorophenyl)methylidene]benzeneacylhydrazone increase the expression of the cruzain gene
the levels of cruzipain expression by wild-type parasites are enhanced after in vivo passage in Rhodnius prolixus
-
APPLICATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
medicine
drug development
-
cruzipain is an attractive target for the development of novel trypanocidal drugs
molecular biology
-
in this study it is shown in murine macrophage cell line J774 as well as in murine bone marrow-derived macrophages, that cruzipain induces p38 phosphorylation with Trypanosoma cruzi infection triggering mainly JNK and ERK phosphorylation. Cruzipain also favors the survival in macrophages by changing the iNOS/arginase balance
medicine
cruzipain inhibition is a chemotherapeutic approach for Chagas disease because of its trypanocidal activity and due to the inhibitory effect on TGF-beta activation
medicine
cruzain is a primary cysteine protease expressed by the protozoan parasite Trypanosoma cruzi during Chagas disease infection, and thus, the development of inhibitors of this protein is a promising target for designing an effective therapy against the disease
REF.
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TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
Alvarez, V.; Parussini, F.; Aslund, L.; Cazzulo, J.J.
Expression in insect cells of active mature cruzipain from Trypanosoma cruzi, containing its C-terminal domain
Protein Expr. Purif.
26
467-475
2002
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Alves, L.C.; Melo, R.L.; Cezari, M.H.S.; Sanderson, S.J.; Mottram, J.C.; Coombs, G.H.; Juliano, L.; Juliano, M.A.
Analysis of the S2 subsite specificities of the recombinant cysteine proteinases CPB of Leishmania mexicana, and cruzain of Trypanosoma cruzi, using fluorescent substrates containing non-natural basic amino acids
Mol. Biochem. Parasitol.
117
137-143
2001
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Cazzulo, J.J.; Bravo, M.; Raimond, A.; Engstroem, U.; Lindeberg, G.; Hellman, U.
Hydrolysis of synthetic peptides by cruzipain, the major cysteine proteinase from Trypanosoma cruzi, provides evidence for self-processing and the possibility of more specific substrates for the enzyme
Cell. Mol. Biol.
42
691-696
1996
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Cazzulo, J.J.; Cazzulo Franke, M.C.; Martinez, J.; Franke de Cazzulo, B.M.
Some kinetic properties of a cysteine proteinase (cruzipain) from Trypanosoma cruzi
Biochim. Biophys. Acta
1037
186-191
1990
Trypanosoma cruzi (Q598P5)
Cazzulo, J.J.; Stoka, V.; Turk, V.
Cruzipain, the major cysteine proteinase from the protozoan parasite Trypanosoma cruzi
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378
1-10
1997
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Del Nery, E.; Juliano, M.A.; Meldal, M.; Svendsen, I.; Scharfstein, J.; Walmsley, A.; Juliano, L.
Characterization of the substrate specificity of the major cysteine protease (cruzipain) from Trypanosoma cruzi using a portion-mixing combinatorial library and fluorogenic peptides
Biochem. J.
323
427-433
1997
Trypanosoma cruzi (Q598P5)
-
Eakin, A.E.; McGrath, M.E.; McKerrow, J.H.; Fletterick, R.J.; Craik, C.S.
Production of crystallizable cruzain, the major cysteine protease from Trypanosoma cruzi
J. Biol. Chem.
268
6115-6118
1993
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Gillmor, S.A.; Craik, C.S.; Fletterick, R.J.
Structural determinants of specificity in the cysteine protease cruzain
Protein Sci.
6
1603-1611
1997
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Judice, W.A.; Cezari, M.H.; Lima, A.P.; Scharfstein, J.; Chagas, J.R.; Tersariol, I.L.; Juliano, M.A.; Juliano, L.
Comparison of the specificity, stability and individual rate constants with respective activation parameters for the peptidase activity of cruzipain and its recombinant form, cruzain, from Trypanosoma cruzi
Eur. J. Biochem.
268
6578-6586
2001
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Lima, A.P.C.A.; Almeida, P.C.; Tersariol, I.L.S.; Schmitz, V.; Schmaier, A.H.; Juliano, L.; Hirata, I.Y.; Muller-Esterl, W.; Chagas, J.R.; Scharfstein, J.
Heparan sulfate modulates kinin release by Trypanosoma cruzi through the activity of cruzipain
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277
5875-5881
2002
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
McGrath, M.E.; Eakin, A.E.; Engel, J.C.; McKerrow, J.H.; Craik, C.C.; Fletterick, R.J.
The crystal structure of cruzain: a therapeutic target for Chagas' disease
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247
251-259
1995
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Ramos, A.M.; Duschak, V.G.; Gerez de Burgos, N.M.; Barboza, M.; Remedi, M.S.; Vides, M.A.; Chiabrando, G.A.
Trypanosoma cruzi: cruzipain and membrane-bound cysteine proteinase isoform(s) interacts with human alpha2-macroglobulin and pregnancy zone protein
Exp. Parasitol.
100
121-130
2002
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Salvati, L.; Mattu, M.; Polticelli, F.; Tiberi, F.; Gradoni, L.; Venturini, G.; Bolognesi, M.; Ascenzi, P.
Modulation of the catalytic activity of cruzipain, the major cysteine proteinase from Trypanosoma cruzi, by temperature and pH
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268
3253-3258
2001
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Schnapp, A.R.; Eickhoff, C.S.; Sizemore, D.; Curtiss, R.3rd.; Hoft, D.F.
Cruzipain induces both mucosal and systemic protection against Trypanosoma cruzi in mice
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70
5065-5074
2002
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Sterin-Borda, L.; Giordanengo, L.; Joensen, L.; Gea, S.
Cruzipain induces autoantibodies against cardiac muscarinic acetylcholine receptors. Functional and pathological implications
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33
2459-2468
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Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
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The high stability of cruzipain against pH-induced inactivation is not dependent on its C-terminal domain
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469
29-32
2000
Trypanosoma cruzi (Q598P5)
Cazzulo, J.J.; Martinez, J.; Parodi, A.J.; Wernstedt, C.; Hellman, U.
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79
411-416
1992
Trypanosoma cruzi (Q598P5), Trypanosoma cruzi
Aoki, M.P.; Guinazu, N.L.; Pellegrini, A.V.; Gotoh, T.; Masih, D.T.; Gea, S.
Cruzipain, a major Trypanosoma cruzi antigen, promotes arginase-2 expression and survival of neonatal mouse cardiomyocytes
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286
C206-C212
2004
Trypanosoma cruzi
Polticelli, F.; Zaini, G.; Bolli, A.; Antonini, G.; Gradoni, L.; Ascenzi, P.
Probing the cruzain S2 recognition subsite: a kinetic and binding energy calculation study
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44
2781-2789
2005
Trypanosoma cruzi
Chiyanzu, I.; Hansell, E.; Gut, J.; Rosenthal, P.J.; McKerrow, J.H.; Chibale, K.
Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain
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13
3527-3530
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Trypanosoma cruzi
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Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain
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15
121-123
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Trypanosoma cruzi
Judice, W.A.; Puzer, L.; Cotrin, S.S.; Carmona, A.K.; Coombs, G.H.; Juliano, L.; Juliano, M.A.
Carboxydipeptidase activities of recombinant cysteine peptidases. Cruzain of Trypanosoma cruzi and CPB of Leishmania mexicana
Eur. J. Biochem.
271
1046-1053
2004
Trypanosoma cruzi
Duschak, V.G.; Barboza, M.; Couto, A.S.
Trypanosoma cruzi: partial characterization of minor cruzipain isoforms non-adsorbed to concanavalin A-Sepharose
Exp. Parasitol.
104
122-130
2003
Trypanosoma cruzi
Barboza, M.; Duschak, V.G.; Fukuyama, Y.; Nonami, H.; Erra-Balsells, R.; Cazzulo, J.J.; Couto, A.S.
Structural analysis of the N-glycans of the major cysteine proteinase of Trypanosoma cruzi. Identification of sulfated high-mannose type oligosaccharides
FEBS J.
272
3803-3815
2005
Trypanosoma cruzi
Barboza, M.; Duschak, V.G.; Cazzulo, J.J.; de Lederkremer, R.M.; Couto, A.S.
Presence of sialic acid in N-linked oligosaccharide chains and O-linked N-acetylglucosamine in cruzipain, the major cysteine proteinase of Trypanosoma cruzi
Mol. Biochem. Parasitol.
127
69-72
2003
Trypanosoma cruzi
Berasain, P.; Carmona, C.; Frangione, B.; Cazzulo, J.J.; Goni, F.
Specific cleavage sites on human IgG subclasses by cruzipain, the major cysteine proteinase from Trypanosoma cruzi
Mol. Biochem. Parasitol.
130
23-29
2003
Trypanosoma cruzi
Stempin, C.C.; Garrido, V.V.; Dulgerian, L.R.; Cerban, F.M.
Cruzipain and SP600125 induce p38 activation, alter NO/arginase balance and favor the survival of Trypanosoma cruzi in macrophages
Acta Trop.
106
119-127
2008
Trypanosoma cruzi
Reis, F.C.; Costa, T.F.; Sulea, T.; Mezzetti, A.; Scharfstein, J.; Broemme, D.; Menard, R.; Lima, A.P.
The propeptide of cruzipain--a potent selective inhibitor of the trypanosomal enzymes cruzipain and brucipain, and of the human enzyme cathepsin F
FEBS J.
274
1224-1234
2007
Trypanosoma cruzi
dos Reis, F.C.; Judice, W.A.; Juliano, M.A.; Juliano, L.; Scharfstein, J.; Lima, A.P.
The substrate specificity of cruzipain 2, a cysteine protease isoform from Trypanosoma cruzi
FEMS Microbiol. Lett.
259
215-220
2006
Trypanosoma cruzi
Scharfstein, J.; Monteiro, A.C.; Schmitz, V.; Svensjoe, E.
Angiotensin-converting enzyme limits inflammation elicited by Trypanosoma cruzi cysteine proteases: a peripheral mechanism regulating adaptive immunity via the innate kinin pathway
Biol. Chem.
389
1015-1024
2008
Trypanosoma cruzi
Chen, Y.T.; Lira, R.; Hansell, E.; McKerrow, J.H.; Roush, W.R.
Synthesis of macrocyclic trypanosomal cysteine protease inhibitors
Bioorg. Med. Chem. Lett.
18
5860-5863
2008
Trypanosoma brucei rhodesiense, Trypanosoma cruzi
Zanatta, N.; Amaral, S.S.; Dos Santos, J.M.; de Mello, D.L.; Fernandes, L.d.a..S.; Bonacorso, H.G.; Martins, M.A.; Andricopulo, A.D.; Borchhardt, D.M.
Convergent synthesis and cruzain inhibitory activity of novel 2-(N-benzylidenehydrazino)-4-trifluoromethyl-pyrimidines
Bioorg. Med. Chem.
16
10236-10243
2008
Trypanosoma cruzi
Porcal, W.; Hernandez, P.; Boiani, L.; Boiani, M.; Ferreira, A.; Chidichimo, A.; Cazzulo, J.J.; Olea-Azar, C.; Gonzalez, M.; Cerecetto, H.
New trypanocidal hybrid compounds from the association of hydrazone moieties and benzofuroxan heterocycle
Bioorg. Med. Chem.
16
6995-7004
2008
Trypanosoma cruzi, Trypanosoma cruzi Tulahuen 2
Romeiro, N.C.; Aguirre, G.; Hernandez, P.; Gonzalez, M.; Cerecetto, H.; Aldana, I.; Perez-Silanes, S.; Monge, A.; Barreiro, E.J.; Lima, L.M.
Synthesis, trypanocidal activity and docking studies of novel quinoxaline-N-acylhydrazones, designed as cruzain inhibitors candidates
Bioorg. Med. Chem.
17
641-652
2009
Trypanosoma cruzi, Trypanosoma cruzi Tulahuen 2
Elias, C.G.; Pereira, F.M.; Dias, F.A.; Silva, T.L.; Lopes, A.H.; dAvila-Levy, C.M.; Branquinha, M.H.; Santos, A.L.
Cysteine peptidases in the tomato trypanosomatid Phytomonas serpens: influence of growth conditions, similarities with cruzipain and secretion to the extracellular environment
Exp. Parasitol.
120
343-352
2008
Trypanosoma cruzi, Trypanosoma cruzi Dm28c
dos Reis, F.C.; Smith, B.O.; Santos, C.C.; Costa, T.F.; Scharfstein, J.; Coombs, G.H.; Mottram, J.C.; Lima, A.P.
The role of conserved residues of chagasin in the inhibition of cysteine peptidases
FEBS Lett.
582
485-490
2008
Trypanosoma cruzi
SantAnna, C.; Parussini, F.; Lourenco, D.; de Souza, W.; Cazzulo, J.J.; Cunha-e-Silva, N.L.
All Trypanosoma cruzi developmental forms present lysosome-related organelles
Histochem. Cell Biol.
130
1187-1198
2008
Trypanosoma cruzi, Trypanosoma cruzi Y
Acosta, D.M.; Arnaiz, M.R.; Esteva, M.I.; Barboza, M.; Stivale, D.; Orlando, U.D.; Torres, S.; Laucella, S.A.; Couto, A.S.; Duschak, V.G.
Sulfates are main targets of immune responses to cruzipain and are involved in heart damage in BALB/c immunized mice
Int. Immunol.
20
461-470
2008
Trypanosoma cruzi, Trypanosoma cruzi Tulahuen 2
Brak, K.; Doyle, P.S.; McKerrow, J.H.; Ellman, J.A.
Identification of a new class of nonpeptidic inhibitors of cruzain
J. Am. Chem. Soc.
130
6404-6410
2008
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Fricker, S.P.; Mosi, R.M.; Cameron, B.R.; Baird, I.; Zhu, Y.; Anastassov, V.; Cox, J.; Doyle, P.S.; Hansell, E.; Lau, G.; Langille, J.; Olsen, M.; Qin, L.; Skerlj, R.; Wong, R.S.; Santucci, Z.; McKerrow, J.H.
Metal compounds for the treatment of parasitic diseases
J. Inorg. Biochem.
102
1839-1845
2008
Trypanosoma cruzi
Fampa, P.; Lisboa, C.V.; Jansen, A.M.; Santos, A.L.; Ramirez, M.I.
Protease expression analysis in recently field-isolated strains of Trypanosoma cruzi: a heterogeneous profile of cysteine protease activities between TC I and TC II major phylogenetic groups
Parasitology
135
1093-1100
2008
Trypanosoma cruzi
Pereira, F.M.; Elias, C.G.; dAvila-Levy, C.M.; Branquinha, M.H.; Santos, A.L.
Cysteine peptidases in Herpetomonas samuelpessoai are modulated by temperature and dimethylsulfoxide-triggered differentiation
Parasitology
136
45-54
2009
Trypanosoma cruzi, Trypanosoma cruzi Dm28c
Cazorla, S.I.; Frank, F.M.; Becker, P.D.; Corral, R.S.; Guzman, C.A.; Malchiodi, E.L.
Prime-boost immunization with cruzipain co-administered with MALP-2 triggers a protective immune response able to decrease parasite burden and tissue injury in an experimental Trypanosoma cruzi infection model
Vaccine
26
1999-2009
2008
Trypanosoma cruzi, Trypanosoma cruzi RA
Pizzo, C.; Saiz, C.; Talevi, A.; Gavernet, L.; Palestro, P.; Bellera, C.; Blanch, L.B.; Benitez, D.; Cazzulo, J.J.; Chidichimo, A.; Wipf, P.; Mahler, S.G.
Synthesis of 2-hydrazolyl-4-thiazolidinones based on multicomponent reactions and biological evaluation against Trypanosoma cruzi
Chem. Biol. Drug Des.
77
166-172
2011
Trypanosoma cruzi
Borchhardt, D.; Mascarello, A.; Chiaradia, L.; Nunes, R.; Oliva, G.; Yunes, R.; Andricopulo, A.
Biochemical evaluation of a series of synthetic chalcone and hydrazide derivatives as novel inhibitors of cruzain from Trypanosoma cruzi
J. Braz. Chem. Soc.
21
142-150
2010
Trypanosoma cruzi
-
Trossini, G.; Malvezzi, A.; Amaral, A.; Rangel-Yagui, C.; Izidoro, M.; Cezari, M.; Juliano, L.; Chin, C.; Menezes, C.; Ferreira, E.
Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: Investigation of a new target in Trypanosoma cruzi
J. Enzyme Inhib. Med. Chem.
25
62-67
2010
Trypanosoma cruzi
Trossini, G.; Chin, C.; de Souza Menezes, C.; Ferreira, E.
Molecular modeling suggests cruzain specificity for peptide primaquine prodrugs
Lett. Drug Des. Discov.
7
528-533
2010
Trypanosoma cruzi
-
Acosta, D.M.; Soprano, L.L.; Ferrero, M.; Landoni, M.; Esteva, M.I.; Couto, A.S.; Duschak, V.G.
A striking common O-linked N-acetylglucosaminyl moiety between cruzipain and myosin
Parasite Immunol.
33
363-370
2011
Trypanosoma cruzi
Doyle, P.S.; Zhou, Y.M.; Hsieh, I.; Greenbaum, D.C.; McKerrow, J.H.; Engel, J.C.
The Trypanosoma cruzi protease cruzain mediates immune evasion
PLoS Pathog.
7
e1002139
2011
Trypanosoma cruzi
Merlino, A.; Benitez, D.; Campillo, N.; Pez, J.; Tinoco, L.; Gonzlez, M.; Cerecetto, H.
Amidines bearing benzofuroxan or benzimidazole 1,3-dioxide core scaffolds as Trypanosoma cruzi-inhibitors: Structural basis for their interactions with cruzipain
MedChemComm
3
90-101
2012
Trypanosoma cruzi
-
Uehara, L.A.; Moreira, O.C.; Oliveira, A.C.; Azambuja, P.; Lima, A.P.; Britto, C.; dos Santos, A.L.; Branquinha, M.H.; dAvila-Levy, C.M.
Cruzipain promotes Trypanosoma cruzi adhesion to Rhodnius prolixus midgut
PLoS Negl. Trop. Dis.
6
e1958
2012
Trypanosoma cruzi, Trypanosoma cruzi Dm28c
Barbosa da Silva, E.; Dall, E.; Briza, P.; Brandstetter, H.; Ferreira, R.S.
Cruzain structures apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design
Acta Crystallogr. Sect. F
75
419-427
2019
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Arafet, K.; Ferrer, S.; Moliner, V.
First quantum mechanics/molecular mechanics studies of the inhibition mechanism of cruzain by peptidyl halomethyl ketones
Biochemistry
54
3381-3391
2015
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Zhai, X.; Meek, T.D.
Catalytic mechanism of cruzain from Trypanosoma cruzi as determined from solvent kinetic isotope effects of steady-state and pre-steady-state kinetics
Biochemistry
57
3176-3190
2018
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Cianni, L.; Sartori, G.; Rosini, F.; De Vita, D.; Pires, G.; Lopes, B.R.; Leitao, A.; Burtoloso, A.C.B.; Montanari, C.A.
Leveraging the cruzain S3 subsite to increase affinity for reversible covalent inhibitors
Bioorg. Chem.
79
285-292
2018
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Fabian, L.; Martini, M.F.; Sarduy, E.S.; Estrin, D.A.; Moglioni, A.G.
Evaluation of quinoxaline compounds as ligands of a site adjacent to S2 (AS2) of cruzain
Bioorg. Med. Chem. Lett.
29
2197-2202
2019
Trypanosoma cruzi (P25779)
Espindola, J.W.; Cardoso, M.V.; Filho, G.B.; Oliveira E Silva, D.A.; Moreira, D.R.; Bastos, T.M.; Simone, C.A.; Soares, M.B.; Villela, F.S.; Ferreira, R.S.; Castro, M.C.; Pereira, V.R.; Murta, S.M.; Sales Junior, P.A.; Romanha, A.J.; Leite, A.C.
Synthesis and structure-activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain
Eur. J. Med. Chem.
101
818-835
2015
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Reyes-Espinosa, F.; Juarez-Saldivar, A.; Palos, I.; Herrera-Mayorga, V.; Garcia-Perez, C.; Rivera, G.
In silico analysis of homologous heterodimers of cruzipain-chagasin from structural models built by homology
Int. J. Mol. Sci.
20
E1320
2019
Trypanosoma cruzi (P25779)
Herrera-Mayorga, V.; Lara-Ramirez, E.E.; Chacon-Vargas, K.F.; Aguirre-Alvarado, C.; Rodriguez-Paez, L.; Alcantara-Farfan, V.; Cordero-Martinez, J.; Nogueda-Torres, B.; Reyes-Espinosa, F.; Bocanegra-Garcia, V.; Rivera, G.
Structure-based virtual screening and in vitro evaluation of new Trypanosoma cruzi cruzain inhibitors
Int. J. Mol. Sci.
20
E1742
2019
Trypanosoma cruzi (P25779), Trypanosoma cruzi, Trypanosoma cruzi INC-5 (P25779)
Dos Santos, A.M.; Cianni, L.; De Vita, D.; Rosini, F.; Leitao, A.; Laughton, C.A.; Lameira, J.; Montanari, C.A.
Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles
Phys. Chem. Chem. Phys.
20
24317-24328
2018
Trypanosoma cruzi (P25779)
Ferrao, P.M.; dAvila-Levy, C.M.; Araujo-Jorge, T.C.; Degrave, W.M.; Goncalves, A.d.a. .S.; Garzoni, L.R.; Lima, A.P.; Feige, J.J.; Bailly, S.; Mendonca-Lima, L.; Waghabi, M.C.
Cruzipain activates latent TGF-beta from host cells during T. cruzi invasion
PLoS ONE
10
e0124832
2015
Trypanosoma cruzi (P25779), Trypanosoma cruzi
Gomes, J.C.; Cianni, L.; Ribeiro, J.; Dos Reis Rocho, F.; da Costa Martins Silva, S.; Batista, P.H.J.; Moraes, C.B.; Franco, C.H.; Freitas-Junior, L.H.G.; Kenny, P.W.; Leitao, A.; Burtoloso, A.C.B.; de Vita, D.; Montanari, C.A.
Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement
Bioorg. Med. Chem.
27
115083
2019
Trypanosoma cruzi, Trypanosoma cruzi (P25779)
Silva, L.R.; Guimaraes, A.S.; do Nascimento, J.; do Santos Nascimento, I.J.; da Silva, E.B.; McKerrow, J.H.; Cardoso, S.H.; da Silva-Junior, E.F.
Computer-aided design of 1,4-naphthoquinone-based inhibitors targeting cruzain and rhodesain cysteine proteases
Bioorg. Med. Chem.
41
116213
2021
Trypanosoma cruzi (P25779)
Jasinski, G.; Salas-Sarduy, E.; Vega, D.; Fabian, L.; Martini, M.F.; Moglioni, A.G.
Thiosemicarbazone derivatives Evaluation as cruzipain inhibitors and molecular modeling study of complexes with cruzain
Bioorg. Med. Chem.
61
116708
2022
Trypanosoma cruzi, Trypanosoma cruzi (P25779)
Lameiro, R.F.; Montanari, C.A.
Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses
ChemMedChem
18
e202200434
2023
Trypanosoma cruzi, Trypanosoma cruzi (P25779)
Prates, J.L.B.; Lopes, J.R.; Chin, C.M.; Ferreira, E.I.; Dos Santos, J.L.; Scarim, C.B.
Discovery of novel inhibitors of cruzain cysteine protease of Trypanosoma cruzi
Curr. Med. Chem.
31
2285-2308
2024
Trypanosoma cruzi (P25779)
Jasinski, G.; Salas-Sarduy, E.; Vega, D.; Fabian, L.; Florencia Martini, M.; Moglioni, A.G.
Design, synthesis and biological evaluation of novel thiosemicarbazones as cruzipain inhibitors
Eur. J. Med. Chem.
254
115345
2023
Trypanosoma cruzi (P25779)
de Oliveira, A.S.; Valli, M.; Ferreira, L.L.; Souza, J.M.; Krogh, R.; Meier, L.; Abreu, H.R.; Voltolini, B.G.; Llanes, L.C.; Nunes, R.J.; Braga, A.L.; Andricopulo, A.D.
Novel trypanocidal thiophen-chalcone cruzain inhibitors structure- and ligand-based studies
Future Med. Chem.
14
795-808
2022
Trypanosoma cruzi, Trypanosoma cruzi (P25779)
Parvez, A.; Lee, J.S.; Alam, W.; Tayara, H.; Chong, K.T.
Integrated computational approaches for drug design targeting cruzipain
Int. J. Mol. Sci.
25
3747
2024
Trypanosoma cruzi (P25779)
Bhowmick, S.; Chorge, R.D.; Jangam, C.S.; Bharatrao, L.D.; Patil, P.C.; Chikhale, R.V.; Islam, M.A.
Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies
J. Biomol. Struct. Dyn.
38
4005-4015
2020
Trypanosoma cruzi, Trypanosoma cruzi (P25779)
Reis, C.R.C.D.; Souza, H.V.C.M.; Leme, R.P.P.; Castelo-Branco, F.S.; Fernandes, T.V.A.; Boechat, N.; Dias, L.R.S.; Hoelz, L.V.B.
Study of the dynamic behavior of the cruzain enzyme in free and complexed forms with competitive and noncovalent benzimidazole inhibitors
J. Biomol. Struct. Dyn.
41
4368-4382
2023
Trypanosoma cruzi (P25779)
de Souza, M.L.; de Oliveira Rezende Junior, C.; Ferreira, R.S.; Espinoza Chavez, R.M.; Ferreira, L.L.G.; Slafer, B.W.; Magalhaes, L.G.; Krogh, R.; Oliva, G.; Cruz, F.C.; Dias, L.C.; Andricopulo, A.D.
Discovery of potent, reversible, and competitive cruzain inhibitors with Trypanocidal activity a structure-based drug design approach
J. Chem. Inf. Model.
60
1028-1041
2020
Trypanosoma cruzi (P25779)
Martins, L.C.; de Oliveira, R.B.; Lameira, J.; Ferreira, R.S.
Experimental and computational study of aryl-thiosemicarbazones inhibiting cruzain reveals reversible inhibition and a stepwise mechanism
J. Chem. Inf. Model.
63
1506-1520
2023
Trypanosoma cruzi (P25779)
Boudreau, P.D.; Miller, B.W.; McCall, L.I.; Almaliti, J.; Reher, R.; Hirata, K.; Le, T.; Siqueira-Neto, J.L.; Hook, V.; Gerwick, W.H.
Design of gallinamide A analogs as potent inhibitors of the cysteine proteases human cathepsin L and Trypanosoma cruzi cruzain
J. Med. Chem.
62
9026-9044
2019
Trypanosoma cruzi (P25779)
Delgado-Maldonado, T.; Nogueda-Torres, B.; Espinoza-Hicks, J.C.; Vazquez-Jimenez, L.K.; Paz-Gonzalez, A.D.; Juarez-Saldivar, A.; Rivera, G.
Synthesis and biological evaluation in vitro and in silico of N-propionyl-N-benzeneacylhydrazone derivatives as cruzain inhibitors of Trypanosoma cruzi
Mol. Divers.
26
39-50
2022
Trypanosoma cruzi (P25779), Trypanosoma cruzi NINOA (P25779)
Tripathi, R.K.P.; Dey, R.; Das, N.
Identification of natural lead molecules as potential Trypanosoma cruzi cruzipain inhibitors and decoding the interaction mechanism for the treatment of Chagas disease a computational biology analysis
Nat. Prod. Res.
2023
1-5
2023
Trypanosoma cruzi (P25779)
Tripathi, R.K.P.; Dey, R.; Das, N.
Identification of natural lead molecules as potential Trypanosoma cruzi cruzipain inhibitors and decoding the interaction mechanism for the treatment of Chagas disease a computational biology analysis
Nat. Prod. Res.
FEHLT
1-5
2023
Trypanosoma cruzi (P25779)
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