Application | Comment | Organism |
---|---|---|
medicine | enoyl-acyl carrier protein reductase is a target for anti-malarial drugs | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione | - |
Plasmodium falciparum | |
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione | - |
Plasmodium falciparum | |
2-(2-aminophenoxy)-5-chlorophenol | - |
Plasmodium falciparum | |
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol | - |
Plasmodium falciparum | |
2-(4-amino-2-chlorophenoxy)-5-chlorophenol | - |
Plasmodium falciparum | |
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | - |
Plasmodium falciparum | |
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | - |
Plasmodium falciparum | |
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol | - |
Plasmodium falciparum | |
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide | - |
Plasmodium falciparum | |
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol | - |
Plasmodium falciparum | |
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide | - |
Plasmodium falciparum | |
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde | - |
Plasmodium falciparum | |
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide | - |
Plasmodium falciparum | |
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid | - |
Plasmodium falciparum | |
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile | - |
Plasmodium falciparum | |
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | - |
Plasmodium falciparum | |
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2,4-dichlorophenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol | - |
Plasmodium falciparum | |
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
artesunate | - |
Plasmodium falciparum | |
Chloroquine | - |
Plasmodium falciparum | |
diazaborine | - |
Plasmodium falciparum | |
Ethionamide | - |
Plasmodium falciparum | |
isoniazid | - |
Plasmodium falciparum | |
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide | - |
Plasmodium falciparum | |
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | - |
Plasmodium falciparum | |
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide | - |
Plasmodium falciparum | |
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide | - |
Plasmodium falciparum | |
thienodiazaborine | - |
Plasmodium falciparum | |
thiolactomycin | - |
Plasmodium falciparum | |
triclosan | - |
Plasmodium falciparum | |
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile | - |
Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
trans-2,3-dehydracyl-[acyl-carrier protein] + NADH + H+ | - |
Plasmodium falciparum | acyl-[acyl-carrier protein] + NAD+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
enoyl-acyl carrier protein reductase | - |
Plasmodium falciparum |
ENR | - |
Plasmodium falciparum |
FabI | - |
Plasmodium falciparum |
pfENR | - |
Plasmodium falciparum |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADH | - |
Plasmodium falciparum |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000017 | - |
control | Plasmodium falciparum | artesunate | |
0.0000087 | - |
control | Plasmodium falciparum | Chloroquine | |
0.000057 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione | |
0.00012 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide | |
0.00012 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile | |
0.00014 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol | |
0.00016 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide | |
0.00017 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione | |
0.00018 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol | |
0.00019 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | [3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile | |
0.0002 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2,4-dichlorophenoxy)phenol | |
0.0002 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol | |
0.00022 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol | |
0.00025 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol | |
0.00031 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol | |
0.00036 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-(4-amino-2-chlorophenoxy)-5-chlorophenol | |
0.00038 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde | |
0.000413 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol | |
0.00046 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol | |
0.00055 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid | |
0.00056 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid | |
0.00059 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol | |
0.00068 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol | |
0.0007 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol | |
0.0008 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol | |
0.00081 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol | |
0.0012 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide | |
0.0025 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol | |
0.003 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol | |
0.0033 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol | |
0.0046 | - |
experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | |
0.0061 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol | |
0.007 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-(2-aminophenoxy)-5-chlorophenol | |
0.007 | - |
experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | |
0.0072 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol | |
0.009 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | 4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | 4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | 5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine | |
0.01 | - |
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction | Plasmodium falciparum | N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine | |
0.01 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol | |
0.011 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol | |
0.015 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide | |
0.018 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide | |
0.019 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol | |
0.022 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol | |
0.027 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol | |
0.027 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol | |
0.028 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide | |
0.035 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol | |
0.046 | - |
compound of training and test sets for the CoMFA and CoMSIA studies | Plasmodium falciparum | 5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol |