Ligand 4-Chlorophenol

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Basic Ligand Information

Molecular Structure
Picture of 4-Chlorophenol (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C6H5ClO
4-Chlorophenol
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Synonyms:
chlorophenol, p-chlorophenol

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-chlorophenol + Cl- + H2O2 = ?
show the reaction diagram
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4-chlorophenol + NADPH + O2 = 5-chlorocatechol + NADP+ + H2O
show the reaction diagram
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4-chlorophenol + FADH2 + O2 = 4-chlorocatechol + FAD + H2O
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (32 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
p-chlorophenol + O2 = ? + H2O
show the reaction diagram
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4-chlorophenol + H2O2 = ? + H2O
show the reaction diagram
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4-chlorophenol + H2O2 + H+ = ?
show the reaction diagram
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H2O2 + 4-chlorophenol = ?
show the reaction diagram
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4-chlorophenol + H2O2 = ?
show the reaction diagram
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4-chlorophenol + O2 = ?
show the reaction diagram
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4-chlorophenol + NADH + O2 = 4-chlorocatechol + NAD+
show the reaction diagram
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4-chlorophenol + NADH + H+ + O2 = 1,2,4-trihydroxybenzene + 2-hydroxy-1,4-benzoquinone + ? + NAD+ + H2O
show the reaction diagram
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4-chlorophenol + NADPH + O2 = ? + NADP+ + H2O
show the reaction diagram
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4-chlorophenol + NADH + H+ + O2 = 4-chlorocatechol + NAD+ + H2O
show the reaction diagram
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4-chlorophenol + FADH2 + O2 = ?
show the reaction diagram
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4-chlorophenol + NADH + H+ + O2 = 4-chlorocatechol + NAD+ + H2O
show the reaction diagram
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4-chlorophenol + O2 = 4-chloro-1,2-quinone + H2O
show the reaction diagram
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S-adenosyl-L-methionine + p-chlorophenol = S-adenosyl-L-homocysteine + p-chloroanisole
show the reaction diagram
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UDP-glucose + 4-chlorophenol = UDP + (4-chlorophenyl)-beta-D-glucopyranoside
show the reaction diagram
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3'-phosphoadenylylsulfate + 4-chlorophenol = adenosine 3',5'-bisphosphate + 4-chlorophenyl sulfate
show the reaction diagram
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4-nitrophenyl sulfate + 4-chlorophenol = 4-nitrophenol + 4-chlorophenyl sulfate
show the reaction diagram
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3'-phosphoadenylylsulfate + 4-chlorophenol = adenosine 3',5'-bisphosphate + 4-chlorophenyl sulfate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (20 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
chlorobenzene + NADH + H+ + O2 = 4-chlorophenol + NAD+ + H2O
show the reaction diagram
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chlorobenzene + NAD(P)H + O2 = chlorophenol + NAD(P)+ + H2O
show the reaction diagram
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4-chlorophenyl sulfate + H2O = 4-chlorophenol + sulfate
show the reaction diagram
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p-chlorophenyl beta-D-xyloside + H2O = p-chlorophenol + beta-D-xylose
show the reaction diagram
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N-methanesulfonylglycine 4-chlorophenyl ester + H2O = N-methanesulfonylglycine + 4-chlorophenol
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
activates, effects on enzyme kinetics with substrate N,N-dimethyl-4-phenylenediamine, overview
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Inhibitor in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
11% inhibition at 0.1 mM, 13% at 0.3 mM
-
substrate inhibition
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IC50: 0.11 mM, vs. 10 nM estradiol
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3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (6 results)

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

KM Value (12 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1.74
-
-
0.039
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Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1
-
at pH 7.0
2.6
-
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IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.11
-
IC50: 0.11 mM, vs. 10 nM estradiol

References & Links

Links to other databases for 4-Chlorophenol

ChEBI
PubChem
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PubChem