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Literature summary extracted from

  • Venkatesan, S.K.; Shukla, A.K.; Dubey, V.K.
    Molecular docking studies of selected tricyclic and quinone derivatives on trypanothione reductase of Leishmania infantum (2010), J. Comput. Chem., 31, 2463-2475.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.8.1.12 2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione
-
 Leishmania infantum
1.8.1.12 2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
-
 Leishmania infantum
1.8.1.12 2,2-dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
 Leishmania infantum
1.8.1.12 2,2-dimethyl-4a,10b-dihydro-2H-benzo[h]chromene-5,6-dione
-
 Leishmania infantum
1.8.1.12 2-(propan-2-yl)naphtho[1,2-b]furan-4,5-dione
-
 Leishmania infantum
1.8.1.12 2-(propan-2-yl)naphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 2-ethylnaphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
-
 Leishmania infantum
1.8.1.12 2-hydroxy-3-[(1E)-3-methylbut-1-en-1-yl]naphthalene-1,4-dione
-
 Leishmania infantum
1.8.1.12 2-hydroxynaphthalene-1,4-dione
-
 Leishmania infantum
1.8.1.12 2-methylnaphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 2-nitronaphtho[2,3-b]thiophene-4,9-dione
-
 Leishmania infantum
1.8.1.12 2-propylnaphtho[1,2-b]furan-4,5-dione
-
 Leishmania infantum
1.8.1.12 2-[(1E)-but-1-en-1-yl]-3-hydroxynaphthalene-1,4-dione
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(4-methylbenzyl)propan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(pentafluorobenzyl)propan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dimethylbenzyl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,5-dimethoxybenzyl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-(2-chloro-10H-phenothiazin-10-yl)-N-[4-(cyclohexylmethyl)benzyl]-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 3-bromo-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione
-
 Leishmania infantum
1.8.1.12 3-bromo-2,2-dimethyl-2H-benzo[h]chromene-5,6-dione
-
 Leishmania infantum
1.8.1.12 3-bromo-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
 Leishmania infantum
1.8.1.12 5,7-dimethoxynaphtho[2,3-b]thiophene-4,9-dione
-
 Leishmania infantum
1.8.1.12 5-methoxynaphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 6-chloro-2-methoxyacridin-9-amine
-
 Leishmania infantum
1.8.1.12 6-methoxynaphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 7,8-dimethoxynaphtho[2,3-b]thiophene-4,9-dione
-
 Leishmania infantum
1.8.1.12 8-methoxynaphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 9-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
 Leishmania infantum
1.8.1.12 amitryptyline
-
 Leishmania infantum
1.8.1.12 clomipramine
-
 Leishmania infantum
1.8.1.12 Mepacrine
-
 Leishmania infantum
1.8.1.12 N-(3-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N-(4-bromobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N-(4-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N-(4-tert-butylbenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N-benzyl-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N-[4-(benzyloxy)benzyl]-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
 Leishmania infantum
1.8.1.12 N4-(3-chloroacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
-
 Leishmania infantum
1.8.1.12 N5-(3-chloroacridin-9-yl)-N1,N1-diethylhexane-1,5-diamine
-
 Leishmania infantum
1.8.1.12 naphtho[1,2-b]furan-4,5-dione
-
 Leishmania infantum
1.8.1.12 naphtho[2,3-b]furan-4,9-dione
-
 Leishmania infantum
1.8.1.12 trifluoroperazine
-
 Leishmania infantum

Organism

EC Number Organism UniProt Comment Textmining
1.8.1.12 Leishmania infantum A4HSF7
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.8.1.12 trypanothione disulfide + NADPH + H+
-
 Leishmania infantum trypanothione + NADP+
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.8.1.12 trypanothione reductase
-
 Leishmania infantum
1.8.1.12 TryR
-
 Leishmania infantum

Cofactor

EC Number Cofactor Comment Organism Structure
1.8.1.12 FAD
-
 Leishmania infantum
1.8.1.12 NADPH
-
 Leishmania infantum

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.8.1.12 0.00656
-
 clomipramine pH and temperature not specified in the publication Leishmania infantum
1.8.1.12 0.019
-
 Mepacrine pH and temperature not specified in the publication Leishmania infantum
1.8.1.12 0.0219
-
 trifluoroperazine pH and temperature not specified in the publication Leishmania infantum
1.8.1.12 0.0936
-
 amitryptyline pH and temperature not specified in the publication Leishmania infantum