Application | Comment | Organism |
---|---|---|
drug development | the enzyme is an appropriate target for development of therapeutics to treat tuberculosis | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide | - |
Mycobacterium tuberculosis | |
(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 | |
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)-1-naphthohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)benzohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)isonicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)nicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)-1-naphthohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)benzohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)isonicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)nicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide | - |
Mycobacterium tuberculosis | |
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide | - |
Mycobacterium tuberculosis | |
ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate | - |
Mycobacterium tuberculosis | |
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 | Mycobacterium tuberculosis | |
N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide | - |
Mycobacterium tuberculosis | |
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 | |
[4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone | - |
Mycobacterium tuberculosis |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | required | Mycobacterium tuberculosis |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (R)-pantoate + beta-alanine | Mycobacterium tuberculosis | - |
AMP + diphosphate + (R)-pantothenate | - |
? | |
ATP + (R)-pantoate + beta-alanine | Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv | - |
AMP + diphosphate + (R)-pantothenate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WIL5 | - |
- |
Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv | P9WIL5 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (R)-pantoate + beta-alanine | - |
Mycobacterium tuberculosis | AMP + diphosphate + (R)-pantothenate | - |
? | |
ATP + (R)-pantoate + beta-alanine | - |
Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv | AMP + diphosphate + (R)-pantothenate | - |
? |
Synonyms | Comment | Organism |
---|---|---|
PanC | - |
Mycobacterium tuberculosis |
Pantothenate synthetase | - |
Mycobacterium tuberculosis |
Rv3602c | - |
Mycobacterium tuberculosis |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Mycobacterium tuberculosis |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.8 | - |
assay at | Mycobacterium tuberculosis |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0012 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | (Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide | |
0.00597 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | (3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one | |
0.00767 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate | |
0.00892 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | (3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide | |
0.02472 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | [4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone | |
0.02633 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide | |
0.03878 | - |
pH 7.8, 37°C | Mycobacterium tuberculosis | N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-([2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl)-N-phenylacetamide |
General Information | Comment | Organism |
---|---|---|
physiological function | the pantothenate biosynthetic pathway is essential for the persistent growth and virulence of Mycobacterium tuberculosis and one of the enzymes in the pathway | Mycobacterium tuberculosis |