Ligand thebaine

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Basic Ligand Information

Molecular Structure
Picture of thebaine (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C19H21NO3
thebaine
FQXXSQDCDRQNQE-VMDGZTHMSA-N

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
thebaine + 2-oxoglutarate + O2 = oripavine + formaldehyde + succinate + CO2
show the reaction diagram
-

In Vivo Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
salutaridinol 7-O-acetate = thebaine + acetate
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE

Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
salutaridinol 7-O-acetate = thebaine + acetate
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
0.5 mM, 76% inhibition
-

3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.017
-
pH 7.4, 30C
0.0099
-
pH 7.4, 30C

KM Value (3 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0203
-
pH 7.4, 30C

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.518
-
pH 7.4, 30C

References & Links

Links to other databases for thebaine

ChEBI
PubChem
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PubChem