Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | 39% inhibition at 0.1 mM | Plasmodium falciparum | |
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | - |
Trypanosoma brucei rhodesiense | |
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Plasmodium falciparum | |
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Trypanosoma brucei rhodesiense | |
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | - |
Plasmodium falciparum | |
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Plasmodium falciparum | |
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Plasmodium falciparum | |
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Trypanosoma brucei rhodesiense | |
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | - |
Plasmodium falciparum | |
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride | - |
Plasmodium falciparum | |
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride | - |
Plasmodium falciparum | |
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Plasmodium falciparum | |
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Plasmodium falciparum | |
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Plasmodium falciparum | |
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Trypanosoma brucei rhodesiense | |
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | - |
Plasmodium falciparum | |
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Plasmodium falciparum | |
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | - |
Trypanosoma brucei rhodesiense | |
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | about 60% inhibition at 0.04 mM | Plasmodium falciparum | |
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride | - |
Trypanosoma brucei rhodesiense | |
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | - |
Plasmodium falciparum | |
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline | 33% inhibition at 0.1 mM | Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline | - |
Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline | less than 5% inhibition at 0.04 mM | Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-pyridin-2-ylphenyl)sulfanyl]aniline | - |
Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Trypanosoma brucei rhodesiense | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Plasmodium falciparum | |
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline | - |
Trypanosoma brucei rhodesiense | |
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N'-(5-chloro-2-[[3-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N'-[5-chloro-2-(phenylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Plasmodium falciparum | |
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine | - |
Trypanosoma brucei rhodesiense | |
N-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-3-(4-methylpiperazin-1-yl)propanamide | 5% inhibition at 0.1 mM | Plasmodium falciparum | |
N-[5-chloro-2-(phenylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide | 0% inhibition at 0.04 mM | Plasmodium falciparum | |
N-[5-chloro-2-(phenylthio)phenyl]-3-(4-methylpiperazine-1-yl)-propanamidine | - |
Plasmodium falciparum | |
N-[5-chloro-2-(phenylthio)phenyl]-3-(4-methylpiperazine-1-yl)-propanamidine | - |
Trypanosoma brucei rhodesiense |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
trypanothione disulfide + NADPH + H+ | Plasmodium falciparum | - |
trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | Trypanosoma brucei rhodesiense | - |
trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | Trypanosoma brucei rhodesiense STIB900 | - |
trypanothione + NADP+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | - |
- |
- |
Trypanosoma brucei rhodesiense | - |
- |
- |
Trypanosoma brucei rhodesiense STIB900 | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
trypanothione disulfide + NADPH + H+ | - |
Plasmodium falciparum | trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | - |
Trypanosoma brucei rhodesiense | trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | - |
Trypanosoma brucei rhodesiense STIB900 | trypanothione + NADP+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
EC 1.6.4.8 | formerly | Plasmodium falciparum |
EC 1.6.4.8 | formerly | Trypanosoma brucei rhodesiense |
trypanothione reductase | - |
Plasmodium falciparum |
trypanothione reductase | - |
Trypanosoma brucei rhodesiense |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
FAD | - |
Plasmodium falciparum | |
FAD | - |
Trypanosoma brucei rhodesiense | |
NADPH | - |
Plasmodium falciparum | |
NADPH | - |
Trypanosoma brucei rhodesiense |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.006 | - |
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | competitive inhibition, at 25°C | Plasmodium falciparum | |
0.008 | - |
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | competitive inhibition, at 25°C | Plasmodium falciparum | |
0.01 | - |
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride | competitive inhibition, at 25°C | Plasmodium falciparum |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00059 | - |
- |
Trypanosoma brucei rhodesiense | 3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | |
0.00068 | - |
- |
Trypanosoma brucei rhodesiense | 3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | |
0.0007 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline | |
0.0007 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline | |
0.00077 | - |
- |
Trypanosoma brucei rhodesiense | 3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | |
0.0009 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline | |
0.00097 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | |
0.00102 | - |
- |
Trypanosoma brucei rhodesiense | 3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide | |
0.00106 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline | |
0.001144 | - |
- |
Trypanosoma brucei rhodesiense | N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine | |
0.00116 | - |
- |
Trypanosoma brucei rhodesiense | N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | |
0.00132 | - |
- |
Trypanosoma brucei rhodesiense | 2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline | |
0.00162 | - |
- |
Trypanosoma brucei rhodesiense | N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | |
0.00189 | - |
- |
Trypanosoma brucei rhodesiense | N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine | |
0.00203 | - |
- |
Trypanosoma brucei rhodesiense | 5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline | |
0.00206 | - |
- |
Trypanosoma brucei rhodesiense | N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine | |
0.00233 | - |
- |
Trypanosoma brucei rhodesiense | N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine |