Ligand aniline

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Basic Ligand Information

Molecular Structure
Picture of aniline (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C6H7N
aniline
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Synonyms:
Phenylamine

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3'-phosphoadenylylsulfate + aniline = adenosine 3',5'-bisphosphate + N-sulfoaniline
show the reaction diagram
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ATP + L-glutamate + aniline = ADP + phosphate + N5-phenyl-L-glutamine
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-(dimethylamino)azobenzene + NADH + H+ = N,N-dimethyl-1,4-phenylenediamine + aniline + NAD+
show the reaction diagram
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N5-phenyl-L-glutamine + H2O = L-glutamate + aniline
show the reaction diagram
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acetanilide + H2O = acetate + aniline
show the reaction diagram
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acetanilide + H2O = acetate + aniline
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (42 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
aniline + O2 = ?
show the reaction diagram
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Br- + H2O2 + aniline = o-bromoaniline + p-bromoaniline + ?
show the reaction diagram
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aniline + H2O2 = ? + H2O
show the reaction diagram
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N,N-dimethyl-1,4-phenylenediamine + aniline + 2 NADP+ = 4-(dimethylamino)azobenzene + 2 NADPH + 2 H+
show the reaction diagram
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S-adenosyl-L-methionine + aniline = S-adenosyl-L-homocysteine + N-methylaniline
show the reaction diagram
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acetyl-CoA + aniline = CoA + N-acetylaniline
show the reaction diagram
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Z-Gln-Gly + aniline = ?
show the reaction diagram
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phenylamine + 2-oxoglutarate = benzaldehyde + L-glutamate
show the reaction diagram
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oleate + aniline = oleyl anilide + H2O
show the reaction diagram
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hippuric acid + aniline = hippuryl anilide
show the reaction diagram
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pyrimidinemethanol + aniline = pyrimidinemethylaniline + H2O
show the reaction diagram
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mesaconate + aniline = ?
show the reaction diagram
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ATP + L-glutamate + aniline = ADP + phosphate + N5-phenyl-L-glutamine
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (35 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
5'-phospho-pyridoxyl-aniline + H2O + O2 = pyridoxal 5'-phosphate + aniline + H2O2
show the reaction diagram
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nitrobenzene + 2 NADPH + 2 H+ = aniline + 2 NADP+ + H2O
show the reaction diagram
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acetanilide + H2O = acetate + aniline
show the reaction diagram
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N5-phenyl-L-glutamine + H2O = L-glutamate + aniline
show the reaction diagram
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N-phenylcaproamide + H2O = phenylamine + hexanoate
show the reaction diagram
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acetanilide + H2O = acetate + aniline
show the reaction diagram
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N-(6-aminohexanoyl)-aniline + H2O = 6-aminohexanoate + aniline
show the reaction diagram
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ethyl N-phenylcarbamate + H2O = CO2 + aniline + ethanol
show the reaction diagram
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glutarylaniline + H2O = glutarate + aniline
show the reaction diagram
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5-L-glutamyl-anilide = 5-oxoproline + aniline
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (19 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
0.25 mM, 29% inhibition
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10 mM, 43% inhibition
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5 mM, 50% inhibition
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a benzylamine analogue, dead-end inhibition study, overview; inhibits the reverse enzyme reaction, uncompetitive versus benzylamine, competitive versus formate
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nucleophilic analogue used in place of indole leads to formation of intermediate, but no amino acid formation
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3D Structure of Enzyme-Ligand-Complex (PDB) (11 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (5 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE

KM Value (10 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.55
-
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Ki Value (4 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
14
-
at pH 7.0 and 55°C
14
-
-
0.0028
-
-

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
14.5
-
pH 7.0, 25°C

References & Links

Links to other databases for aniline

ChEBI
PubChem
ChEBI
PubChem