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(2E)-3-(6-aminopyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
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(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
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(2E)-3-[6-(acetylamino)pyridin-3-yl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
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(2E)-N-(2-aminobenzyl)-3-(6-aminopyridin-3-yl)prop-2-enamide
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(2E,4E)-N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
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(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
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1-(2-chlorobenzyl)-4-[(4-methoxybenzyl)oxy]pyridin-2(1H)-one
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1-(3-chloro-4-nitrophenyl)-1,3-dihydro-2H-benzimidazol-2-one
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1-(4-nitrobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one
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1-(4-nitrobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
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1-ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
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1-[(4-nitrophenyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-one
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2-(2,4-dinitrophenoxy)-5-propylphenol
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2-(2-chloro-4-nitrophenoxy)-5-propylphenol
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2-(3-chlorophenoxy)-5-propylphenol
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2-(3-nitrophenoxy)-5-propylphenol
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2-(4-aminophenoxy)-5-propylphenol
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2-(4-nitrophenoxy)-5-propylphenol
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2-(biphenyl-4-yloxy)-5-chlorophenol
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2-amino-N-(5-chloro-2-phenoxyphenyl)pyridine-3-carboxamide
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2-[3-(2-hydroxyethyl)phenoxy]-5-propylphenol
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3-chloro-4-(2,6-dihydroxy-4-propylphenoxy)benzoic acid
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3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
crystal and binding structure determination, overview
3-chloro-4-(2-hydroxy-6-methoxy-4-propylphenoxy)benzonitrile
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4-(2,6-dihydroxy-4-propylphenoxy)benzamide
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4-(2,6-dihydroxy-4-propylphenoxy)benzonitrile
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4-(4-hydroxyphenoxy)benzene-1,3-diol
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4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
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4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
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4-phenoxybenzene-1,3-diol
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4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
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4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzamide
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4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzoic acid
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4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzonitrile
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5-chloro-2-(2,4-dichlorophenoxy)phenol
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5-chloro-2-(2,4-dichlorophenoxy)phenyl 2,2-dimethylpropanoate
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5-chloro-2-(2-nitrophenoxy)phenol
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5-chloro-2-(4-hydroxyphenoxy)phenol
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5-chloro-2-(4-nitrophenoxy)phenol
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5-chloro-2-(pyrazin-2-yloxy)phenol
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5-chloro-2-(pyridin-3-yloxy)phenol
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5-chloro-2-phenoxyaniline
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5-chloro-2-phenoxyphenol
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5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
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N-(3-aminophenyl)-2-(4-nitrophenoxy)acetamide
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N-(4-methoxyphenyl)-2-(4-nitrophenoxy)acetamide
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N-(5-chloro-2-phenoxyphenyl)-2,2-dimethylpropanamide
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N-[2-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
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N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
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N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide
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N1-phenylbenzene-1,2,4-triamine
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[3-(2-hydroxy-4-propylphenoxy)phenyl]boronic acid
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additional information
drug design, synthesis, and evaluation of the compounds concerning antiparasite activity and toxicity to host cells, overview
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Breast Neoplasms
Triclosan inhibits enoyl-reductase of type I fatty acid synthase in vitro and is cytotoxic to MCF-7 and SKBr-3 breast cancer cells.
Infections
Design, synthesis, and evaluation of new thiadiazole-based direct inhibitors of enoyl acyl carrier protein reductase (InhA) for the treatment of tuberculosis.
Infections
The Burkholderia pseudomallei enoyl-acyl carrier protein reductase FabI1 is essential for in vivo growth and is the target of a novel chemotherapeutic with efficacy.
Lung Neoplasms
Pyrrolyl Pyrazoline Carbaldehydes as Enoyl-ACP Reductase Inhibitors: Design, Synthesis and Antitubercular Activity.
Malaria
Dynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery.
Toxoplasmosis
Modification of triclosan scaffold in search of improved inhibitors for enoyl-acyl carrier protein (ACP) reductase in Toxoplasma gondii.
Tuberculosis
A Rational Approach to Identify Inhibitors of Mycobacterium Tuberculosis Enoyl Acyl Carrier Protein Reductase.
Tuberculosis
An inorganic iron complex that inhibits wild-type and an isoniazid-resistant mutant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
Tuberculosis
Anti-tubercular drug development: computational strategies to identify potential compounds.
Tuberculosis
Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors.
Tuberculosis
Carfilzomib as a potential inhibitor of NADH-dependent enoyl-acyl carrier protein reductases of Klebsiella pneumoniae and Mycobacterium tuberculosis as a drug target enzyme: insights from molecular docking and molecular dynamics.
Tuberculosis
Chemical synthesis and in silico molecular modeling of novel pyrrolyl benzohydrazide derivatives: Their biological evaluation against enoyl ACP reductase (InhA) and Mycobacterium tuberculosis.
Tuberculosis
CoMFA based de novo design of pyrrolidine carboxamides as inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis.
Tuberculosis
Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study.
Tuberculosis
Cross-docking study on InhA inhibitors: a combination of Autodock Vina and PM6-DH2 simulations to retrieve bio-active conformations.
Tuberculosis
Crystallographic and pre-steady-state kinetics studies on binding of NADH to wild-type and isoniazid-resistant enoyl-ACP(CoA) reductase enzymes from Mycobacterium tuberculosis.
Tuberculosis
Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
Tuberculosis
Design and synthesis of thiourea-based derivatives as Mycobacterium tuberculosis growth and enoyl acyl carrier protein reductase (InhA) inhibitors.
Tuberculosis
Design, chemical synthesis of 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione derivatives and biological activity against enoyl-ACP reductase (InhA) and Mycobacterium tuberculosis.
Tuberculosis
Design, synthesis and biological evaluation of novel 1,2,3-triazole analogues of Imidazo-[1,2-a]-pyridine-3-carboxamide against Mycobacterium tuberculosis.
Tuberculosis
Design, synthesis, and evaluation of new thiadiazole-based direct inhibitors of enoyl acyl carrier protein reductase (InhA) for the treatment of tuberculosis.
Tuberculosis
Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole-Thiourea Scaffold as Antituberculosis Agents.
Tuberculosis
Development of 1,2,4-Triazole-5-Thione Derivatives as Potential Inhibitors of Enoyl Acyl Carrier Protein Reductase (InhA) in Tuberculosis.
Tuberculosis
Development of 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives as novel enoyl-acyl carrier protein reductase (InhA) inhibitors for the treatment of tuberculosis.
Tuberculosis
Development of gallic acid formazans as novel enoyl acyl carrier protein reductase inhibitors for the treatment of tuberculosis.
Tuberculosis
Development of isoniazid-NAD truncated adducts embedding a lipophilic fragment as potential bi-substrate InhA inhibitors and antimycobacterial agents.
Tuberculosis
Discovery of hydrazone containing thiadiazoles as Mycobacterium tuberculosis growth and enoyl acyl carrier protein reductase (InhA) inhibitors.
Tuberculosis
Discovery of target based novel pyrrolyl phenoxy derivatives as antimycobacterial agents: an in silico approach.
Tuberculosis
Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study.
Tuberculosis
Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme.
Tuberculosis
Inactivation of the inhA-encoded fatty acid synthase II (FASII) enoyl-acyl carrier protein reductase induces accumulation of the FASI end products and cell lysis of Mycobacterium smegmatis.
Tuberculosis
Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides.
Tuberculosis
Inhibitory activity of pentacyano(isoniazid)ferrate(II), IQG-607, against promastigotes and amastigotes forms of Leishmania braziliensis.
Tuberculosis
Mechanisms of isoniazid resistance in Mycobacterium tuberculosis: enzymatic characterization of enoyl reductase mutants identified in isoniazid-resistant clinical isolates.
Tuberculosis
Novel quinoxalinyl chalcone hybrid scaffolds as enoyl ACP reductase inhibitors: Synthesis, molecular docking and biological evaluation.
Tuberculosis
Observed crowding effects on Mycobacterium tuberculosis 2-trans-enoyl-ACP (CoA) reductase enzyme activity are not due to excluded volume only.
Tuberculosis
Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies.
Tuberculosis
Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis.
Tuberculosis
Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations.
Tuberculosis
Receptor based 3D-QSAR to identify putative binders of Mycobacterium tuberculosis Enoyl acyl carrier protein reductase.
Tuberculosis
Slow-onset inhibition of 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis by an inorganic complex.
Tuberculosis
Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations.
Tuberculosis
Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Predicted Pharmacokinetic Profiles.
Tuberculosis
Structure-based design of a novel class of potent inhibitors of InhA, the enoyl acyl carrier protein reductase from Mycobacterium tuberculosis: a computer modelling approach.
Tuberculosis
Synthesis of 4-phenoxybenzamide adenine dinucleotide as NAD analogue with inhibitory activity against enoyl-ACP reductase (InhA) of Mycobacterium tuberculosis.
Tuberculosis
Synthesis, antimycobacterial screening and ligand-based molecular docking studies on novel pyrrole derivatives bearing pyrazoline, isoxazole and phenyl thiourea moieties.
Tuberculosis
Synthesis, biological evaluation and molecular docking studies of new pyrazolines as an antitubercular and cytotoxic agents.
Tuberculosis
Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
Tuberculosis
The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target.
Tuberculosis
Triclosan and its derivatives as antimycobacterial active agents.
Tuberculosis
Triclosan derivatives: towards potent inhibitors of drug-sensitive and drug-resistant Mycobacterium tuberculosis.
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1.3.1.9 enoyl-[acyl-carrier-protein] reductase (NADH)
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The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable). 
