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Literature summary extracted from

  • Morde, V.A.; Shaikh, M.S.; Pissurlenkar, R.R.; Coutinho, E.C.
    Molecular modeling studies, synthesis, and biological evaluation of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR) inhibitors (2009), Mol. Divers., 13, 501-517.
    View publication on PubMed

Application

EC Number Application Comment Organism
1.3.1.9 medicine enoyl-acyl carrier protein reductase is a target for anti-malarial drugs Plasmodium falciparum

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.3.1.9 1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
-
 Plasmodium falciparum
1.3.1.9 1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
-
 Plasmodium falciparum
1.3.1.9 2-(2-aminophenoxy)-5-chlorophenol
-
 Plasmodium falciparum
1.3.1.9 2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
-
 Plasmodium falciparum
1.3.1.9 2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
 Plasmodium falciparum
1.3.1.9 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
 Plasmodium falciparum
1.3.1.9 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
 Plasmodium falciparum
1.3.1.9 2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
-
 Plasmodium falciparum
1.3.1.9 2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
-
 Plasmodium falciparum
1.3.1.9 2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
-
 Plasmodium falciparum
1.3.1.9 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
-
 Plasmodium falciparum
1.3.1.9 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
-
 Plasmodium falciparum
1.3.1.9 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
-
 Plasmodium falciparum
1.3.1.9 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
-
 Plasmodium falciparum
1.3.1.9 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
-
 Plasmodium falciparum
1.3.1.9 4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
 Plasmodium falciparum
1.3.1.9 4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2,4-dichlorophenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
-
 Plasmodium falciparum
1.3.1.9 5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 artesunate
-
 Plasmodium falciparum
1.3.1.9 Chloroquine
-
 Plasmodium falciparum
1.3.1.9 diazaborine
-
 Plasmodium falciparum
1.3.1.9 Ethionamide
-
 Plasmodium falciparum
1.3.1.9 isoniazid
-
 Plasmodium falciparum
1.3.1.9 N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
-
 Plasmodium falciparum
1.3.1.9 N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
 Plasmodium falciparum
1.3.1.9 N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
-
 Plasmodium falciparum
1.3.1.9 N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
-
 Plasmodium falciparum
1.3.1.9 thienodiazaborine
-
 Plasmodium falciparum
1.3.1.9 thiolactomycin
-
 Plasmodium falciparum
1.3.1.9 triclosan
-
 Plasmodium falciparum
1.3.1.9 [3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
-
 Plasmodium falciparum

Organism

EC Number Organism UniProt Comment Textmining
1.3.1.9 Plasmodium falciparum
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.3.1.9 trans-2,3-dehydracyl-[acyl-carrier protein] + NADH + H+
-
 Plasmodium falciparum acyl-[acyl-carrier protein] + NAD+
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.3.1.9 enoyl-acyl carrier protein reductase
-
 Plasmodium falciparum
1.3.1.9 ENR
-
 Plasmodium falciparum
1.3.1.9 FabI
-
 Plasmodium falciparum
1.3.1.9 pfENR
-
 Plasmodium falciparum

Cofactor

EC Number Cofactor Comment Organism Structure
1.3.1.9 NADH
-
 Plasmodium falciparum

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.3.1.9 0.0000017
-
 control Plasmodium falciparum artesunate
1.3.1.9 0.0000087
-
 control Plasmodium falciparum Chloroquine
1.3.1.9 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
1.3.1.9 0.00012
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
1.3.1.9 0.00012
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 0.00018
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
1.3.1.9 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
1.3.1.9 0.0002
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 5-chloro-2-(2,4-dichlorophenoxy)phenol
1.3.1.9 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
1.3.1.9 0.00022
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
1.3.1.9 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
1.3.1.9 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
1.3.1.9 0.00036
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 2-(4-amino-2-chlorophenoxy)-5-chlorophenol
1.3.1.9 0.00038
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 0.003
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
1.3.1.9 0.0033
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
1.3.1.9 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
1.3.1.9 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
1.3.1.9 0.007
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 2-(2-aminophenoxy)-5-chlorophenol
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 0.01
-
 compound of training and test sets for the CoMFA and CoMSIA studies Plasmodium falciparum 2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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
1.3.1.9 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