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Literature summary for 2.7.1.71 extracted from
- Inhibition of shikimate kinase and type II dehydroquinase for antibiotic discovery Structure-based design and simulation studies (2016), Curr. Top. Med. Chem., 16, 960-977 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (1R,6S,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]dec-7-ene-8-carboxylic acid | - |
Mycobacterium tuberculosis |  |
| (1R,6S,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4,7-diene-8-carboxylic acid | - |
Mycobacterium tuberculosis | |
| (2E)-3-phenyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide | - |
Mycobacterium tuberculosis | |
| (3aR,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylic acid | weak competitive reversible inhibitor | Mycobacterium tuberculosis | |
| (3R,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylic acid | reversible competitive inhibitor | Mycobacterium tuberculosis | |
| (3R,4R,5R,6R)-3,4,5,6-tetrahydroxycyclohex-1-ene-1-carboxylic acid | weak competitive reversible inhibitor | Mycobacterium tuberculosis | |
| (3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylic acid | reversible competitive inhibitor | Mycobacterium tuberculosis | |
| (3S,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid | - |
Mycobacterium tuberculosis | |
| 3,5-dichloro-N-[6-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)pyridin-3-yl]benzenesulfonamide | - |
Mycobacterium tuberculosis | |
| 3-methoxy-4-[2-[2-([2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl)phenyl]ethyl]benzaldehyde | - |
Mycobacterium tuberculosis | |
| 5-bromo-2-(5-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl)benzoic acid | - |
Mycobacterium tuberculosis | |
| disodium 7-amino-3-[(E)-(5-hydroxy-7-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate | - |
Mycobacterium tuberculosis | |
| N-(1,3-benzothiazol-2-yl)-6-(methylsulfanyl)-1,3-benzothiazol-2-amine | - |
Mycobacterium tuberculosis | |
| N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide | - |
Mycobacterium tuberculosis | |
Metals/Ions
| Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|
| Mg2+ | dependent on | Mycobacterium tuberculosis | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ATP + shikimate | Mycobacterium tuberculosis | - |
ADP + 3-phosphoshikimate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Mycobacterium tuberculosis | - |
- |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ATP + shikimate | - |
Mycobacterium tuberculosis | ADP + 3-phosphoshikimate | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| AroK | - |
Mycobacterium tuberculosis |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0049 | - |
disodium 7-amino-3-[(E)-(5-hydroxy-7-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 0.0055 | - |
3-methoxy-4-[2-[2-([2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl)phenyl]ethyl]benzaldehyde | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 0.0064 | - |
5-bromo-2-(5-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl)benzoic acid | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 0.062 | - |
(3R,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylic acid | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 0.065 | - |
(3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylic acid | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 0.792 | - |
(3R,4R,5R,6R)-3,4,5,6-tetrahydroxycyclohex-1-ene-1-carboxylic acid | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
| 1.05 | - |
(3aR,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylic acid | pH and temperature not specified in the publication | Mycobacterium tuberculosis | |
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