Information on EC 6.3.2.1 - pantoate-beta-alanine ligase (AMP-forming) and Organism(s) Mycobacterium tuberculosis and UniProt Accession P9WIL5

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UNIPROT: P9WIL5
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The expected taxonomic range for this enzyme is: Eukaryota, Bacteria


The taxonomic range for the selected organisms is: Mycobacterium tuberculosis

EC NUMBER
COMMENTARY hide
6.3.2.1
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RECOMMENDED NAME
GeneOntology No.
pantoate-beta-alanine ligase (AMP-forming)
REACTION
REACTION DIAGRAM
COMMENTARY hide
ORGANISM
UNIPROT
LITERATURE
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
show the reaction diagram
the enzyme catalyzes the ATP-dependent condensation of pantoate with beta-alanine via a pantoyl adenylate intermediate and follows a bi uni uni bi ping pong kinetic mechanism. The Mg2+ dependent reaction involves two sequential steps. Initially binding of ATP with pantoate, leads to formation of pantoyl adenylate and release of diphosphate. Second step involves nucleophilic attack by beta-alanine on the active carbonyl group of pantoyl adenylate and subsequent release of AMP and pantothenate
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
carboxamide formation
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carboxylic acid amide formation
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additional information
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pantothenate synthetase catalyzes the formation of a pantoyl-adenylate intermediate upon the ordered addition of ATP and pantoate
PATHWAY
BRENDA Link
KEGG Link
MetaCyc Link
phosphopantothenate biosynthesis I
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pantothenate biosynthesis
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beta-Alanine metabolism
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Pantothenate and CoA biosynthesis
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Metabolic pathways
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Biosynthesis of secondary metabolites
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SYSTEMATIC NAME
IUBMB Comments
(R)-pantoate:beta-alanine ligase (AMP-forming)
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CAS REGISTRY NUMBER
COMMENTARY hide
9023-49-8
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ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
malfunction
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alanine mutation of the catalytic sites of pantothenate synthetase causes distinct conformational changes in the ATP binding region. Analysis of the molecular mechanism of decreased affinity of the enzyme for ATP caused by alanine mutations using molecular dynamics simulations and free energy calculations
metabolism
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the pantothenate synthetase is involved in the pantothenate biosynthetic pathway
physiological function
additional information
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significance and importance of conserved active site residues including His44, His47, Asn69, Gln72, Lys160 and Gln164 in substrate binding and formation of pantoyl adenylate intermediate. Molecular dynamics simulations of enzyme PS-ATP complex, substrate binding pocket and residue interactions analysis
SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
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-
?
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
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-
-
-
?
ATP + (R)-pantoate + beta-alanine
AMP + diphosphate + (R)-pantothenate
show the reaction diagram
COFACTOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
Co2+
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maximal activity at 10 mM, slight activation
Mn2+
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maximal activity at 10 mM, very strong activation
Ni2+
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maximal activity at approx. 3 mM, slight activation
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY hide
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
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(3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide
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(3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one
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-
(4R)-2-[(2-anilinoprop-2-en-1-yl)sulfanyl]-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
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-
(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
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39.7% inhibition at 0.1 mM
(5-methoxy-2-[[2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid
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-
(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
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-
-
(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
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-
-
(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
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-
-
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
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-
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(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
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-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)-1-naphthohydrazide
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-
-
(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
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-
-
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)nicotinohydrazide
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-
-
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
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(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
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-
(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-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
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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
-
-
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
-
-
2-methyl-N'-(3,4,5-trimethoxybenzylidene)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
-
-
2-methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
-
-
2-methyl-N'-(3-nitrobenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
-
-
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-
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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
-
-
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
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-
2-methyl-N-(pyridin-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
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2-methyl-N-phenethylimidazo[1,2-a]pyridine-3-carboxamide
-
-
2-methyl-N-phenylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
-
-
2-methyl-N-phenylimidazo[1,2-a]pyridine-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-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
-
3-carbohydrazide
-
-
-
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
-
-
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
-
-
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
-
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
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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
-
-
6-methyl-N-phenylimidazo[2,1-b]thiazole-5-carboxamide
-
-
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 5-amino-3-(benzyloxy)-1H-indole-2-carboxylate
-
-
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-(3-benzamidobenzoyl)tryptophan
-
-
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-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
-
-
N-benzyl-6-methylimidazo[2,1-b]thiazole-5-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-[2-(4-methylbenzamido)benzoyl]-D-tryptophan
-
-
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-(2-chlorobenzamido)benzoyl]tryptophan
-
-
N-[3-(2-fluorobenzamido)benzoyl]tryptophan
-
-
N-[3-(3-chlorobenzamido)benzoyl]tryptophan
-
-
N-[3-(3-nitrobenzamido)benzoyl]tryptophan
-
-
N-[3-(4-chlorobenzamido)benzoyl]tryptophan
-
-
N-[3-(4-fluorobenzamido)benzoyl]tryptophan
-
-
N-[3-(4-nitrobenzamido)benzoyl]tryptophan
-
-
N-[3-(4-tert-butylbenzamido)benzoyl]tryptophan
-
-
N-[3-([[(furan-2-yl)oxy]carbonyl]amino)benzoyl]tryptophan
-
-
N-[3-[(cyclohexanecarbonyl)amino]benzoyl]tryptophan
-
-
N-[3-[(cyclopentanecarbonyl)amino]benzoyl]tryptophan
-
-
N-[3-[(pyrazine-2-carbonyl)amino]benzoyl]tryptophan
-
-
N-[3-[(thiophene-2-carbonyl)amino]benzoyl]tryptophan
-
-
N-[3-[2-(4-methoxyphenyl)acetamido]benzoyl]tryptophan
-
-
N-[3-[2-(trifluoromethyl)benzamido]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
[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
-
-
1-benzofuran-2-carboxylic acid
-
competitive with respect to both ATP and pantoate
2-methyl-5-methoxyindole
-
binding mode with the 2-CH3 group facing the pantoate pocket
4-(2-{3-[(1E,3E)-hexa-1,3,5-trien-1-yl]phenyl}hydrazinyl)-4-oxobutanoic acid
-
27% inhibition
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-methoxyindole
-
competitive with respect to ATP
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-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
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-benzyl-1H-pyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
0.1 mM, 100% inhibition
N-(2,5-dibromophenyl)-2-hydroxybenzamide
-
-
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
nafronyl oxalate
pantothenate
-
product inhibition
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
additional information
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.41
(R)-pantoate
-
-
2.6
ATP
-
25°C, pH 7.8
0.09 - 0.8
beta-Alanine
0.13
D-pantoate
-
25°C, pH 7.8
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.01 - 3.4
beta-Alanine
3.4
D-pantoate
-
25°C, pH 7.8
1.74 - 2.94
Pantoate
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.000174
3-(biphenyl-4-yl)-4-cyano-5-(ethylsulfanyl)-1-methyl-1H-pyrrole-2-carboxylic acid
-
versus pantoate, pH 7.8, 37°C
0.000297
4-cyano-3-(4'-cyanobiphenyl-4-yl)-1-methyl-5-propyl-1H-pyrrole-2-carboxylic acid
-
versus pantoate, pH 7.8, 37°C
0.00009
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
pH and temperature not specified in the publication
0.0224
methyl 5-amino-3-(benzyloxy)-1H-indole-2-carboxylate
-
pH and temperature not specified in the publication
0.0018
[2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methyl-1H-inden-1-yl]acetic acid
-
pH and temperature not specified in the publication
0.075
nafronyl oxalate
-
-
4.5 - 7.6
pantothenate
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.00892
(3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.00597
(3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.0386
(5-(4-fluorophenylsulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)(phenyl)methanone
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.0012
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.0391
1-(4-(1-benzoyl-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-ylsulfonyl)phenyl)ethanone
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.0821
1-benzoyl-N-(4-bromophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.0218
1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.0382
1-benzoyl-N-(naphthalen-1-yl)-3-phenyl-6,7-dihydro-1Hpyrazolo[4,3-c]pyridine-5(4H)-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01872
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylcarbamothioyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.025
2-(5-nitrofuran-2-carboxamido)-6-(4-nitrophenylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH and temperature not specified in the publication
0.00207
2-methyl-N'-(3,4,5-trimethoxybenzylidene)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00705
2-methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0092
2-methyl-N'-(3-nitrobenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00531
2-methyl-N'-(4-(trifluoromethyl)benzylidene)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00818
2-methyl-N'-(4-(trifluoromethyl)benzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00583
2-methyl-N'-(4-methylbenzoyl)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00335
2-methyl-N'-(4-methylbenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00746
2-methyl-N'-(4-methylbenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.025
2-methyl-N'-(4-nitrobenzylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
above, pH 7.8, 37°C, recombinant enzyme
0.00053
2-methyl-N'-(4-phenoxybenzoyl)benzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00722
2-methyl-N'-(4-phenoxybenzoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00701
2-methyl-N-(3-(trifluoromethyl)phenyl)imidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.025
2-methyl-N-(pyridin-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH 7.8, 37°C, recombinant enzyme
0.00577
2-methyl-N-phenethylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00103
2-methyl-N-phenylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.01283
2-methyl-N-phenylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.025
6-(4-acetylphenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH and temperature not specified in the publication
0.025
6-(4-acetylphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH and temperature not specified in the publication
0.025
6-(4-bromophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH and temperature not specified in the publication
0.01422
6-(4-bromophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01916
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.00628
6-(4-chlorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.025
6-(4-chlorophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH and temperature not specified in the publication
0.01022
6-(4-chlorophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.02086
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01016
6-(4-fluorophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01756
6-(4-fluorophenylsulfonyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01172
6-(4-fluorophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01506
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.0145
6-(4-methoxyphenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.02033
6-(4-methoxyphenylsulfonyl)-2-(5-nitrofuran-2-arboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01905
6-(4-methoxyphenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.00911
6-(4-nitrophenylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01979
6-(4-nitrophenylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.00968
6-(4-nitrophenylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.00587
6-(4-nitrophenylsulfonyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01702
6-(benzylcarbamothioyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01324
6-(benzylcarbamothioyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01408
6-(benzylcarbamoyl)-2-(5-nitrofuran-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.01816
6-(benzylcarbamoyl)-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.00561
6-methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00067
6-methyl-N'-(4-(trifluoromethyl)benzylidene)imidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00499
6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00123
6-methyl-N'-(4-phenoxybenzoyl)imidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00074
6-methyl-N-phenylimidazo[2,1-b]thiazole-5-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.2507
actinomycin D
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
0.025
ethambutol
Mycobacterium tuberculosis;
-
above, pH 7.8, 37°C, recombinant enzyme
0.00767
ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.025
isoniazid
Mycobacterium tuberculosis;
-
above, pH 7.8, 37°C, recombinant enzyme
0.00139
N'-(1-naphthoyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0019
N'-(1-naphthoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00064
N'-(1-naphthoyl)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00513
N'-(2,4-dichlorobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00821
N'-(2-methoxybenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00648
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00537
N'-(4-(benzyloxy)benzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00146
N'-(4-(dimethylamino)benzylidene)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0025
N'-(4-(dimethylamino)benzylidene)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00102
N'-(4-bromobenzylidene)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00443
N'-(4-bromobenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0012
N'-(4-bromobenzylidene)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00377
N'-(4-fluorobenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00749
N'-(4-hydroxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00637
N'-(4-methoxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00291
N'-(cyclohexanecarbonyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0077
N'-(cyclohexanecarbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00538
N'-(cyclohexanecarbonyl)-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00893
N'-(furan-2-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.02633
N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.0011
N'-benzoyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00354
N'-benzoyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00531
N'-benzoyl-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00215
N'-benzylidene-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00486
N'-benzylidene-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00058
N'-benzylidene-6-methylimidazo[2,1-b]thiazole-5-carbohydrazide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00359
N-(3-benzamidobenzoyl)tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00052
N-(4-bromophenyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00695
N-(4-bromophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00069
N-(4-bromophenyl)-6-methylimidazo[2,1-b]thiazole-5-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0026
N-(4-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0021
N-(4-ethoxyphenyl)-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.025
N-(4-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
above, pH 7.8, 37°C, recombinant enzyme
0.00583
N-(4-methoxyphenyl)-6-methylimidazo[2,1-b]thiazole-5-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00281
N-(furan-2-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00084
N-benzyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00274
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00106
N-benzyl-6-methylimidazo[2,1-b]thiazole-5-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00102
N-cyclohexyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00199
N-cyclohexyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.002
N-cyclohexyl-6-methylimidazo[2,1-b]thiazole-5-carboxamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.03878
N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-([2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl)-N-phenylacetamide
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
0.01006
N-[3-(2-chlorobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00562
N-[3-(2-fluorobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.01087
N-[3-(3-chlorobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00288
N-[3-(3-nitrobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00521
N-[3-(4-chlorobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00228
N-[3-(4-fluorobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00954
N-[3-(4-nitrobenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00445
N-[3-(4-tert-butylbenzamido)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00682
N-[3-([[(furan-2-yl)oxy]carbonyl]amino)benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00774
N-[3-[(cyclohexanecarbonyl)amino]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00714
N-[3-[(cyclopentanecarbonyl)amino]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.01068
N-[3-[(pyrazine-2-carbonyl)amino]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.0093
N-[3-[(thiophene-2-carbonyl)amino]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.01563
N-[3-[2-(4-methoxyphenyl)acetamido]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.00852
N-[3-[2-(trifluoromethyl)benzamido]benzoyl]tryptophan
Mycobacterium tuberculosis;
-
pH 7.8, 37°C, recombinant enzyme
0.02472
[4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone
Mycobacterium tuberculosis;
-
pH 7.8, 37°C
460
4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoic acid
Mycobacterium tuberculosis;
-
-
140
5-tert-butyl-N-(1-[4-[(2-phenylethyl)carbamoyl]benzyl]-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
61000
5-tert-butyl-N-1H-pyrazol-4-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
130
5-tert-butyl-N-[1-(2,4-difluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
160
5-tert-butyl-N-[1-(2-iodobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
120
5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
140
5-tert-butyl-N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
150
5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
90
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
7130
5-tert-butyl-N-[4-carbamoyl-3-(4-methoxybenzyl)isoxazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
0.2507
actinomycin D
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
160
methyl 4-[(4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)carbonyl]amino]-1H-pyrazol-1-yl)methyl]benzoate
Mycobacterium tuberculosis;
-
-
0.02244
methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
97
N-(1-benzyl-1H-pyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
140
N-[1-(2-bromobenzyl)-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
210
N-[1-[4-(benzylcarbamoyl)benzyl]-1H-pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
Mycobacterium tuberculosis;
-
-
0.3984
nafronyl oxalate
Mycobacterium tuberculosis;
-
pH and temperature not specified in the publication
250
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
Mycobacterium tuberculosis;
-
-
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
31611
-
2 * 31611, mass spectroscopy, crystallization
32677
-
2 * 32677, deduced from nucleotide sequence
33000
-
2 * 33000, SDS-PAGE
65000
-
gel filtration
SUBUNITS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
crystal structure analysis of the enzyme co-crystallized with (2-[(1-benzofuran-2-yl-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl)acetic acid, PDB ID 3IVX, determined at a resolution of 1.73 A, and usage of the structure for enzyme-ligand binding structure predictions in molecular docking
-
crystal structure of the enzyme complexed with AMP, ATP or beta-alanine
-
crystal structures of pantothenate synthetase complexed with diphosphomethylphosphonic acid adenosyl ester and pantoate resolved at 1.6 A and of apo Escherichia coli pantothenate synthetase resolved at 1.70 A are used as the initial structures for the simulations
-
crystal structures with compounds 5-methoxyindole and 2-carboxybenzofuranoic acid bound in a ternary complex and in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
-
crystals of native PS and PS complexed with alpha,beta-methyleneadenosine 5'-triphosphate, pantoate and the reaction intermediate pantoyl adenylate, crystals are grown by hanging-drop vapor diffusion, 0.003-0.005 ml of PS solution at 10 mg/ml PS is mixed with an equal volume of well solution, best crystals are obtained with well solutions containing 10%-15% polyethylene glycol 3000, 5% glycerol, 2% ethanol, 20 mM MgCl2, 150 mM Li2SO4 and 100 mM imidazole, pH 8.0 at 20°C, crystals diffract to 1.6-2.0 A
-
Purification/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
recombinant His6-tagged enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography
-
recombinant His6-tagged maltose-binding protein fusion enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration to homogeneity
-
recombinant PanC
-
recombinant pantothenate synthetase
-
Cloned/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
gene panC, expression in Escherichia coli strain BL21(DE3)
-
gene panC, expression of His6-tagged maltose-binding protein fusion enzyme in Escherichia coli strain BL21(DE3)
-
gene panC, recombinant expression in Escherichia coli strain BL21(DE3)
-
gene panC, recombinant His6-tagged enzyme expression in Escherichia coli strain BL21(DE3)
-
expression in Escherichia coli
-
wild-type and mutant enzymes expressed in Escherichia coli BL21
-
ENGINEERING
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
H44A
-
site-directed mutagenesis, the mutant shows reduced catalytic activity compared to the wild-type enzyme
H47A
-
site-directed mutagenesis, the mutant shows only weak interactions between ATP and enzyme leading to reduced protein catalytic activity compared to wild-type
K160A
-
site-directed mutagenesis, the mutant shows only weak interactions between ATP and enzyme leading to reduced protein catalytic activity compared to wild-type
N69A
-
site-directed mutagenesis, mutant shows reduced catalytic activity compared to the wild-type enzyme
Q164A
-
site-directed mutagenesis, mutant shows reduced catalytic activity compared to the wild-type enzyme
Q72A
-
site-directed mutagenesis, mutant shows reduced catalytic activity compared to the wild-type enzyme
E77G
-
87% of wild-type activity
G74D
-
mutation reduces the mobility of the gate loop in Mycobacterium tuberculosis pantothenate synthetase
H44A
-
greater than 1000fold reduction in enzyme activity
H47A
-
greater than 1000fold reduction in enzyme activity
K160A
-
greater than 1000fold reduction in enzyme activity
K160C
-
activity is markedly enhanced by the alkylation of cysteine with bromoethylamine
N69A
-
greater than 1000fold reduction in enzyme activity
Q164A
-
mutant exhibits 50fold less activity than wild-type enzyme
Q72A
-
greater than 1000fold reduction in enzyme activity
additional information
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ATP is strongly bound to the catalytic core of the wild-type enzyme, limiting its movement to form a stable complex as compared to enzyme mutants
APPLICATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
drug development