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Literature summary for 2.7.1.71 extracted from

  • Rahul Reddy, M.B.; Krishnasamy, S.K.; Kathiravan, M.K.
    Identification of novel scaffold using ligand and structure based approach targeting shikimate kinase (2020), Bioorg. Chem., 102, 104083 .
    View publication on PubMed
Search for more literature for 2.7.1.71

Inhibitors

Inhibitors Comment Organism Structure
(2R)-N-[3-chloro-4-(methylsulfonyl)benzyl]-2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)ethanamide
-
 Mycobacterium tuberculosis
(3R,4S)-5-(1-benzothiophen-5-yl)-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
-
 Mycobacterium tuberculosis
1-(2,4-dinitrophenyl)-5-[[(4-fluorophenyl)acetyl]amino]-N-methyl-1H-pyrazole-3-carboxamide IC50 of 0.1 mg/ml Mycobacterium tuberculosis
1-(2,4-dinitrophenyl)-N-methyl-5-([[4-(trifluoromethyl)phenyl]acetyl]amino)-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
1-(2,4-dinitrophenyl)-N-methyl-5-[[(4-methylphenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
1-(2,4-dinitrophenyl)-N-methyl-5-[[(4-nitrophenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of more than 0.1 mg/ml Mycobacterium tuberculosis
1-(5-methoxy-1H-pyrazol-3-yl)-3-[2-[(methylsulfonyl)methyl]benzyl]urea
-
 Mycobacterium tuberculosis
1-[1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-3-[2-[2-(methylsulfanyl)ethyl]phenyl]urea
-
 Mycobacterium tuberculosis
2-(3-[[(3-cyanobenzyl)carbamoyl]amino]-1H-pyrazol-1-yl)-N-methylacetamide
-
 Mycobacterium tuberculosis
2-[(2Z)-2-(4-nitrobenzylidene)hydrazinyl]-1,3-benzothiazole
-
 Mycobacterium tuberculosis
2-[(4-chlorophenyl)amino]-N-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetamide
-
 Mycobacterium tuberculosis
3-[[difluoro(4-methylphenyl)acetyl]amino]-N,1-dimethyl-1H-pyrazole-5-carboxamide
-
 Mycobacterium tuberculosis
5-[[(2-bromo-6-chlorophenyl)acetyl]amino]-N,3-dimethyl-1H-pyrazole-4-carboxamide
-
 Mycobacterium tuberculosis
5-[[(4-fluorophenyl)acetyl]amino]-N,1-dimethyl-1H-pyrazole-3-carboxamide IC50 of 0.025 mg/ml Mycobacterium tuberculosis
5-[[(4-fluorophenyl)acetyl]amino]-N-methyl-1-phenyl-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
5-[[(4-fluorophenyl)acetyl]amino]-N-methyl-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
5-[[(5-chloro-2-hydroxyphenyl)amino]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
 Mycobacterium tuberculosis
6-cyclohexamidomanzamine A
-
 Mycobacterium tuberculosis
alpha-linolenic acid
-
 Mycobacterium tuberculosis
manzamine A
-
 Mycobacterium tuberculosis
methyl 4-([[4-methoxy-2-(trifluoromethyl)benzyl]carbamoyl]amino)-1-methyl-1H-pyrazole-5-carboxylate
-
 Mycobacterium tuberculosis
methyl 5-([[(5-chloro-2-methoxyphenyl)amino]acetyl]amino)-4-methyl-1H-pyrazole-3-carboxylate
-
 Mycobacterium tuberculosis
N,1-dimethyl-5-([[4-(trifluoromethyl)phenyl]acetyl]amino)-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
N,1-dimethyl-5-[[(4-methylphenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of 0.025 mg/ml Mycobacterium tuberculosis
N,1-dimethyl-5-[[(4-nitrophenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
N-(2-cyclopropylbenzyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
-
 Mycobacterium tuberculosis
N-(3,5-dichloro-4-[[(methylsulfonyl)methyl]amino]phenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxamide IC50 of 0.025 mg/ml Mycobacterium tuberculosis
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
-
 Mycobacterium tuberculosis
N-methyl-1-phenyl-5-([[4-(trifluoromethyl)phenyl]acetyl]amino)-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
N-methyl-5-([[4-(trifluoromethyl)phenyl]acetyl]amino)-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
N-methyl-5-[[(4-methylphenyl)acetyl]amino]-1-phenyl-1H-pyrazole-3-carboxamide IC50 of 0.025 mg/ml Mycobacterium tuberculosis
N-methyl-5-[[(4-methylphenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of 0.025 mg/ml Mycobacterium tuberculosis
N-methyl-5-[[(4-nitrophenyl)acetyl]amino]-1-phenyl-1H-pyrazole-3-carboxamide IC50 of 0.05 mg/ml Mycobacterium tuberculosis
N-methyl-5-[[(4-nitrophenyl)acetyl]amino]-1H-pyrazole-3-carboxamide IC50 of 0.1 mg/ml Mycobacterium tuberculosis
N-[3,5-dichloro-4-[(methylsulfonyl)amino]phenyl]-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxamide
-
 Mycobacterium tuberculosis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ 5 mM used in assay conditions 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
-
 ?

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00006
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis 6-cyclohexamidomanzamine A
0.0051
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis 5-[[(5-chloro-2-hydroxyphenyl)amino]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
0.00584
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis 2-[(4-chlorophenyl)amino]-N-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetamide
0.01
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis manzamine A
0.01069
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis 2-[(2Z)-2-(4-nitrobenzylidene)hydrazinyl]-1,3-benzothiazole
0.04622
-
 at pH 7.5 and 25°C Mycobacterium tuberculosis N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide