6.3.2.1: pantoate-beta-alanine ligase (AMP-forming)
This is an abbreviated version!
For detailed information about pantoate-beta-alanine ligase (AMP-forming), go to the full flat file.
Word Map on EC 6.3.2.1
-
6.3.2.1
-
trna
-
aminoacyl-trna
-
aminoacylation
-
coa
-
glycogen
-
thromboxane
-
prostaglandin
-
adenylate
-
carboxylase
-
gsh
-
neurodegeneration
-
nonribosomal
-
acyl-coa
-
carbamyl
-
anticodon
-
phosphorylase
-
ribonucleic
-
polyketide
-
polyadp-ribose
-
kinase-associated
-
arachidonic
-
purine
-
ornithine
-
lipogenic
-
multienzyme
-
lipogenesis
-
indomethacin
-
adp-ribose
-
palmitoyl-coa
-
argininosuccinate
-
lipopeptide
-
tx
-
transcarbamylase
-
acyl-coenzyme
-
ifn-alpha
-
thioesterase
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3-aminobenzamide
-
microcystins
-
cyclooxygenase
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myositis
-
dermatomyositis
-
interferon-induced
-
dystonia
-
ifn-induced
-
malonyl-coa
-
amber
-
ifn-beta
-
polymyositis
-
delta-aminolevulinic
-
drug development
-
6-keto-pgf1
- 6.3.2.1
- trna
- aminoacyl-trna
- aminoacylation
- coa
- glycogen
-
thromboxane
- prostaglandin
- adenylate
- carboxylase
- gsh
- neurodegeneration
-
nonribosomal
- acyl-coa
-
carbamyl
-
anticodon
- phosphorylase
-
ribonucleic
- polyketide
-
polyadp-ribose
-
kinase-associated
-
arachidonic
- purine
- ornithine
-
lipogenic
-
multienzyme
-
lipogenesis
- indomethacin
- adp-ribose
- palmitoyl-coa
- argininosuccinate
-
lipopeptide
- tx
-
transcarbamylase
-
acyl-coenzyme
- ifn-alpha
-
thioesterase
- 3-aminobenzamide
- microcystins
-
cyclooxygenase
- myositis
- dermatomyositis
-
interferon-induced
- dystonia
-
ifn-induced
- malonyl-coa
-
amber
-
ifn-beta
- polymyositis
-
delta-aminolevulinic
- drug development
-
6-keto-pgf1
Reaction
Synonyms
D-Pantoate:beta-alanine ligase (AMP-forming), MTBPS, PanC, panthotenate synthetase, Pantoate activating enzyme, pantoate-beta-alanine ligase, Pantoic-activating enzyme, pantothenate, Pantothenate synthetase, PS, PTS, Rv3602c, synthetase, Synthetase, pantothenate
ECTree
6.3.2.1 pantoate-beta-alanine ligase (AMP-forming)Advanced search results
results (
results (Inhibitors
Inhibitors on EC 6.3.2.1 - pantoate-beta-alanine ligase (AMP-forming)
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INHIBITOR 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
IMAGE
(2-[[(1-benzofuran-2-carbonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid
-
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(2-[[(1-benzofuran-2-sulfonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid
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(2-[[(1-benzofuran-2-yl)methoxy]carbonyl]-5-methoxy-1H-indol-1-yl)acetic acid
-
(2RS)-5'-O-(3,3-dimethyl-2-hydroxy-4-methoxybutyrylsulfamoyl)adenosine
-
(3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide
-
(3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one
-
(4R)-2-[(2-anilinoprop-2-en-1-yl)sulfanyl]-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
-
(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
77.0% inhibition at 0.1 mM
(5-(4-nitrophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1Hpyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
39.7% inhibition at 0.1 mM
(5-methoxy-2-[[2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid
-
(5-methoxy-2-[[4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid
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(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
-
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)benzohydrazide
-
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(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
-
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)nicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
-
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
-
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
-
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
-
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)-1-naphthohydrazide
-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)benzohydrazide
-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)isonicotinohydrazide
-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)nicotinohydrazide
-
-
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
1-(4-(1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
39.2% inhibition at 0.1 mM
1-(4-(1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
78.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
50.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
40.8% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
48.5% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-fluorophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
49.2% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
50.6% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
38.7% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
47.3% inhibition at 0.1 mM
1-(cyclohexanecarbonyl)-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
50.9% inhibition at 0.1 mM
1-(yclohexanecarbonyl)-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
50.8% inhibition at 0.1 mM
1-benzofuran-2-carboxylic acid
competitive with respect to both ATP and pantoate
1-benzoyl-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
23.9% inhibition at 0.1 mM
1-benzoyl-3-phenyl-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
49.4% inhibition at 0.1 mM
1-benzoyl-N-(4-bromophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
60.6% inhibition at 0.1 mM
1-benzoyl-N-(4-chlorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
37.7% inhibition at 0.1 mM
1-benzoyl-N-(4-chlorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
40.2% inhibition at 0.1 mM
1-benzoyl-N-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c] pyridine-5(4H)-carboxamide
47.2% inhibition at 0.1 mM
1-benzoyl-N-(4-fluorophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
43.5% inhibition at 0.1 mM
1-benzoyl-N-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
10.2% inhibition at 0.1 mM
1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
95.7% inhibition at 0.1 mM
1-benzoyl-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
89.8% inhibition at 0.1 mM
1-benzoyl-N-benzyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
52.1% inhibition at 0.1 mM
1-benzoyl-N-benzyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
46.2% inhibition at 0.1 mM
1-benzoyl-N-isopropyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
40.9% inhibition at 0.1 mM
2,6-dimethyl-N-(thiophen-2-ylmethyl)-2H,3H-imidazo[1,2-a]pyridine-3-carboxamide
GSK358607A, MIC value is 190 nM
2-(4-bromophenyl)-2-oxoethyl 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido]benzoate
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2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylcarbamothioyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
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2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
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2-methyl-5-methoxyindole
binding mode with the 2-CH3 group facing the pantoate pocket
2-methyl-N'-(3,4,5-trimethoxybenzylidene)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
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2-methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(3-nitrobenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(4-(trifluoromethyl)benzylidene)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
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2-methyl-N'-(4-(trifluoromethyl)benzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(4-methylbenzoyl)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
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2-methyl-N'-(4-methylbenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(4-methylbenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(4-nitrobenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
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2-methyl-N'-(4-phenoxybenzoyl)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
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2-methyl-N'-(4-phenoxybenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
-
2-methyl-N-(3-(trifluoromethyl)phenyl)imidazo[1,2-a]pyridine-3-carboxamide
-
2-methyl-N-(pyridin-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
-
2-methyl-N-phenylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
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2-[(2Z)-2-[(5-8[(benzenesulfonyl)amino]methyl]furan-2-yl)methylidene]hydrazinyl]-N-(4-ethoxyphenyl)-2-oxoacetamide
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3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester
-
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
3-[(R)-[1-(2-methoxyethyl)-1H-tetrazol-5-yl][4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-8-methylquinolin-2(1H)-one
-
3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl]-8-methyl-3,4-dihydroquinolin-2(1H)-one
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4-(2-{3-[(1E,3E)-hexa-1,3,5-trien-1-yl]phenyl}hydrazinyl)-4-oxobutanoic acid
-
27% inhibition
4-(4-chlorobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-[(2R)-oxolan-2-yl]-1,5-dihydro-2H-pyrrol-2-one
-
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoic acid
0.1 mM, 99% inhibition
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid
0.1 mM, 12% inhibition
5-tert-butyl-N-(1-[4-[(2-phenylethyl)carbamoyl]benzyl]-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 78% inhibition
5-tert-butyl-N-1H-pyrazol-4-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 43% inhibition
5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives
silico molecular design, synthesis, and inhibitory activity, overview
5-tert-butyl-N-[1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 17% inhibition
5-tert-butyl-N-[1-(2,4-difluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 100% inhibition
5-tert-butyl-N-[1-(2-iodobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 84% inhibition
5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 89% inhibition
5-tert-butyl-N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 98% inhibition
5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 98% inhibition
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 97% inhibition
5-tert-butyl-N-[4-carbamoyl-3-(4-methoxybenzyl)isoxazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 79% inhibition
6-(4-acetylphenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-acetylphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-bromophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-bromophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-chlorophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-chlorophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-fluorophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-fluorophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-methoxyphenylsulfonyl)-2-(5-nitrofuran-2-arboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-methoxyphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-nitrophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-nitrophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-nitrophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(4-nitrophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(benzylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(benzylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(benzylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-(benzylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
6-acetyl-2-(thiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SID 92097880, MIC values is 0.0032 mM
6-methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[2,1-b]thiazole-5-carbohydrazide
-
6-methyl-N'-(4-(trifluoromethyl)benzylidene)imidazo[2,1-b]thiazole-5-carbohydrazide
-
6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b]thiazole-5-carbohydrazide
-
6-methyl-N'-(4-phenoxybenzoyl)imidazo[2,1-b]thiazole-5-carbohydrazide
-
7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-[[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]methyl]-3,7-dihydro-1H-purine-2,6-dione
-
7-[(R)-[4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl][4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
-
benzyl (1-[[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl)carbamate
-
cyclohexyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
52.0% inhibition at 0.1 mM
cyclohexyl(3-phenyl-5-tosyl-4,5,6,7-tetrahydro-1Hpyrazolo[4,3-c]pyridin-1-yl)methanone
41.6% inhibition at 0.1 mM
cyclohexyl(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
46.8% inhibition at 0.1 mM
cyclohexyl(5-(4-nitrophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
50.2% inhibition at 0.1 mM
ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate
-
methyl 4-(2-[[(naphthalen-1-yl)oxy]acetyl]hydrazinesulfonyl)benzoate
-
methyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
0.1 mM, 100% inhibition
methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
-
69% inhibition
N'-(1-naphthoyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-(1-naphthoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(1-naphthoyl)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N'-(2,4-dichlorobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(2-methoxybenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(4-(benzyloxy)benzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(4-(dimethylamino)benzylidene)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-(4-(dimethylamino)benzylidene)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N'-(4-bromobenzylidene)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-(4-bromobenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(4-bromobenzylidene)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N'-(4-fluorobenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(4-hydroxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(4-methoxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(cyclohexanecarbonyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-(cyclohexanecarbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-(cyclohexanecarbonyl)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N'-(furan-2-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide
-
N'-benzoyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-benzoyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-benzoyl-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N'-benzylidene-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
N'-benzylidene-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
N'-benzylidene-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
-
N-(1-benzyl-1H-pyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 100% inhibition
N-(4-acetylphenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
51.4% inhibition at 0.1 mM
N-(4-acetylphenyl)-1-benzoyl-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c] pyridine-5(4H)-carboxamide
43.7% inhibition at 0.1 mM
N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
50.5% inhibition at 0.1 mM
N-(4-bromophenyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
-
N-(4-bromophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
N-(4-bromophenyl)-6-methylimidazo[2,1-b]thiazole-5-carboxamide
-
N-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
56.3% inhibition at 0.1 mM
N-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
54.7% inhibition at 0.1 mM
N-(4-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
N-(4-ethoxyphenyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
-
N-(4-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
N-(4-methoxyphenyl)-6-methylimidazo[2,1-b]thiazole-5-carboxamide
-
N-(furan-2-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
N-allyl-1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
41.7% inhibition at 0.1 mM
N-benzyl-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carbothioamide
51.4% inhibition at 0.1 mM
N-benzyl-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
49.1% inhibition at 0.1 mM
N-benzyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
-
N-cyclohexyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
-
N-cyclohexyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
N-cyclohexyl-6-methylimidazo[2,1-b]thiazole-5-carboxamide
-
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 18% inhibition
N-[1-(2-bromobenzyl)-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 94% inhibition
N-[1-[4-(benzylcarbamoyl)benzyl]-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
0.1 mM, 82% inhibition
N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-([2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl)-N-phenylacetamide
-
N-[3-([[(furan-2-yl)oxy]carbonyl]amino)benzoyl]tryptophan
-
N-[4-[(2-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl)(2-phenylethyl)sulfamoyl]phenyl]acetamide
-
N-[7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-D-alanine
-
N1-[(furan-2-yl)methyl]-N2-([3-[(3-[[(furan-2-yl)methyl]amino]-2,3-dioxopropyl)amino]phenyl]methyl)ethanediamide
-
phenyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
48.7% inhibition at 0.1 mM
phenyl(3-phenyl-5-tosyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
9.0% inhibition at 0.1 mM
tert-butyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
0.1 mM, 79% inhibition
[2-[(1-benzofuran-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
[2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methyl-1H-inden-1-yl]acetic acid
-
[2-[(4-acetamidobenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
[2-[(4-acetylpiperazine-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
[2-[(4-tert-butylbenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
[2-[(5-acetamido-1,3,4-thiadiazole-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
[4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone
-
[5-methoxy-2-[(4-methoxybenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
[5-methoxy-2-[(4-methylbenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
[5-methoxy-2-[(5-methylpyridine-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
[5-methoxy-2-[(morpholine-4-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
[5-methoxy-2-[(naphthalene-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
additional information
development, synthesis and evaluation of tetrahydrothieno[2,3-c]pyridine-3-carboxamide-based inhibitors, computational molecular modeling, overview
-
additional information
-
development, synthesis and evaluation of tetrahydrothieno[2,3-c]pyridine-3-carboxamide-based inhibitors, computational molecular modeling, overview
-
additional information
synthesis and evaluation of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as pantothenate synthetase inhibitors, overview. No inhibition by isoniazid and ethambutol
-
additional information
-
synthesis and evaluation of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as pantothenate synthetase inhibitors, overview. No inhibition by isoniazid and ethambutol
-
additional information
evaluation of 3-biphenyl-4-cyanopyrrole-2-carboxylic acids as enzyme inhibitors, overview
-
additional information
-
evaluation of 3-biphenyl-4-cyanopyrrole-2-carboxylic acids as enzyme inhibitors, overview
-
additional information
usage of the crystal structure of mycobacterial pantothenate synthetase bound with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl) acetic acid inhibitor for virtual screening of an antitubercular compound database, identification and development of 2-methylimidazo[1,2-a]pyridine-3-carboxamides as inhibitors of Mycobacterium tuberculosis pantothenate synthetase, synthesis of 30 derivatives and evaluation as inhibitors, inhibition study of in vitro anti-TB activities against replicative and non-replicative MTB, in vivo activity using Mycobacterium marinum infected Zebra fish, and cytotoxicity against RAW 264.7 cell line, overview
-
additional information
-
usage of the crystal structure of mycobacterial pantothenate synthetase bound with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl) acetic acid inhibitor for virtual screening of an antitubercular compound database, identification and development of 2-methylimidazo[1,2-a]pyridine-3-carboxamides as inhibitors of Mycobacterium tuberculosis pantothenate synthetase, synthesis of 30 derivatives and evaluation as inhibitors, inhibition study of in vitro anti-TB activities against replicative and non-replicative MTB, in vivo activity using Mycobacterium marinum infected Zebra fish, and cytotoxicity against RAW 264.7 cell line, overview
-
additional information
design of imidazo[2,1-b]thiazole and benzo[d]imidazo[2,1-b]thiazole derivatives from earlier reported imidazo[1,2-a]pyridine based Mycobacterium tuberculosis (MTB) pantothenate synthetase inhibitors, evaluation of thirty compounds as enzyme inhibitors and anti-tuberculosis agents, inhibition study of in vitro anti-TB activities against replicative and non-replicative MTB, in vivo activity using Mycobacterium marinum infected Zebra fish, and cytotoxicity against RAW 264.7 cell line, overview. No inhibition by amoxicillin
-
additional information
-
design of imidazo[2,1-b]thiazole and benzo[d]imidazo[2,1-b]thiazole derivatives from earlier reported imidazo[1,2-a]pyridine based Mycobacterium tuberculosis (MTB) pantothenate synthetase inhibitors, evaluation of thirty compounds as enzyme inhibitors and anti-tuberculosis agents, inhibition study of in vitro anti-TB activities against replicative and non-replicative MTB, in vivo activity using Mycobacterium marinum infected Zebra fish, and cytotoxicity against RAW 264.7 cell line, overview. No inhibition by amoxicillin
-
additional information
construction of inhibitor molecules with optimized binding efficiencies, the stepwise growing of an indole fragment leads to the generation of a lead compound, analysis of the binding kinetics of the compounds, overview
-
additional information
-
construction of inhibitor molecules with optimized binding efficiencies, the stepwise growing of an indole fragment leads to the generation of a lead compound, analysis of the binding kinetics of the compounds, overview
-
additional information
using energy-based pharmacophore modeling and in vitro screening, structure-guided design (PDB ID 1N2I)and synthesis of thiazolidine derivatives as Mycobacterium tuberculosis pantothenate synthetase inhibitors from a rational inhibitor design approach, overview
-
additional information
-
using energy-based pharmacophore modeling and in vitro screening, structure-guided design (PDB ID 1N2I)and synthesis of thiazolidine derivatives as Mycobacterium tuberculosis pantothenate synthetase inhibitors from a rational inhibitor design approach, overview
-
additional information
inhibitor docking study, molecular docking of a set of pyrazole-based inhibitors to the active site of the enzyme, the docking solutions are post-processed using the MM-PB(GB)SA method and molecular dynamic simulations in order to analyze and validate the two previously proposed binding modes. Both the MM-PBSA and MM-GBSA are able to discriminate between active and inactive compounds. The pharmacophore-based scoring method proves efficient in discriminating the active compounds from inactives. Method development for screening of potential inhibitors of the enzyme from commercially available databases
-
additional information
-
inhibitor docking study, molecular docking of a set of pyrazole-based inhibitors to the active site of the enzyme, the docking solutions are post-processed using the MM-PB(GB)SA method and molecular dynamic simulations in order to analyze and validate the two previously proposed binding modes. Both the MM-PBSA and MM-GBSA are able to discriminate between active and inactive compounds. The pharmacophore-based scoring method proves efficient in discriminating the active compounds from inactives. Method development for screening of potential inhibitors of the enzyme from commercially available databases
-
additional information
development of inhibitors active against the enzyme using energy based pharmacophore modeling of the available protein-inhibitor complex (3IVX) and virtual screening of a large commercial library. The e-pharmacophore model consists of a ring aromatic, negative ionizable, and acceptor sites. Inhibitor structure optimization, molecular docking. Determinations of MIC values and cytotoxicity against HEK-293 cells for the inhibitors, overview
-
additional information
-
development of inhibitors active against the enzyme using energy based pharmacophore modeling of the available protein-inhibitor complex (3IVX) and virtual screening of a large commercial library. The e-pharmacophore model consists of a ring aromatic, negative ionizable, and acceptor sites. Inhibitor structure optimization, molecular docking. Determinations of MIC values and cytotoxicity against HEK-293 cells for the inhibitors, overview
-
