Ligand bithionol

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Basic Ligand Information

Molecular Structure
Picture of bithionol (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C24H40N7O18P3S
bithionol
BERBFZCUSMQABM-IEXPHMLFSA-N
Synonyms:
3-hydroxy-propanoyl-CoA, 3-hydroxypropanoyl-CoA, 3-hydroxypropionyl-CoA


Show all pahtways known for Show all BRENDA pathways known for bithionol

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
3-hydroxypropanoyl-CoA = acryloyl-CoA + H2O
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
ATP + 3-hydroxypropanoate + CoA = AMP + diphosphate + 3-hydroxypropanoyl-CoA
show the reaction diagram
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3-hydroxypropanoate + ATP + coenzyme A = 3-hydroxypropanoyl-CoA + AMP + diphosphate
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-hydroxypropanoyl-CoA = acryloyl-CoA + H2O
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-hydroxypropanoate + acetoacetyl-CoA = 3-hydroxypropanoyl-CoA + acetoacetate
show the reaction diagram
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ATP + 3-hydroxypropanoate + CoA = AMP + diphosphate + 3-hydroxypropanoyl-CoA
show the reaction diagram
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ATP + 3-hydroxypropionate + CoA = AMP + diphosphate + 3-hydroxypropionyl-CoA
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (12 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
over 75% inhibition at 0.02 mM, IC50: 0.010 mM
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potent, isoform Adcy10-specific inhibitor, noncompetitive with respect to ATP
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Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
10
-
-
96
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pH 8.6, 65°C

KM Value (5 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.189
-
-

IC50 Value (10 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.01
-
over 75% inhibition at 0.02 mM, IC50: 0.010 mM

References & Links

Links to other databases for bithionol

ChEBI
PubChem
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PubChem