Ligand isatin

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Basic Ligand Information

Molecular Structure
Picture of isatin (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C8H5NO2
isatin
LIFAQMGORKPVDH-UHFFFAOYSA-N
Synonyms:
1H-indole-2,3-dione, 3-hydroxy-2-oxoindole, indol -2,3-dione, indoline-2,3-dione
Pathway Source
Pathways

Roles as Enzyme Ligand

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

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
isatin + H2O = isatinate
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (26 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
isatin + NADH + H+ = ? + NAD+
show the reaction diagram
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isatin + NADPH = ? + NADP+
show the reaction diagram
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isatin + NADPH = ?
show the reaction diagram
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isatin + NADPH = ?
show the reaction diagram
-
isatin + NADH = ?
show the reaction diagram
-
isatin + NADPH = ?
show the reaction diagram
-
isatin + NADH + H+ = ? + NAD+
show the reaction diagram
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isatin + NADPH = ? + NADP+
show the reaction diagram
-
isatin + NADPH + H+ = ?
show the reaction diagram
-
isatin + NADH = ?
show the reaction diagram
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isatin + NADPH = NADP+ + 1-methyl-1H-indole-2,3-diol
show the reaction diagram
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isatin + H2O = isatinate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
isatin + NADPH + H+ = 3-hydroxy-2-oxoindole + NADP+
show the reaction diagram
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3-chloroindole + O2 + reduced putidaredoxin = isatin + H2O + Cl- + oxidized putidaredoxin + ?
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (32 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
mechanism of inhibition
-
weak, reversible inhibitor
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3D Structure of Enzyme-Ligand-Complex (PDB) (36 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (26 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
981.7
-
-
31.7
-
pH 7.4, 25°C
0.137
-
at pH 7.4 and 37°C
0.283
-
pH 7.4, 25°C, recombinant wild-type AKR1C17
43.95
-
pH 7.5, 25°C
4.36
-
pH 7.5, 25°C
0.283
-
pH 7.4, 25°C, recombinant wild-type AKR1C17

KM Value (45 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.012
-
-
0.32
-
pH 7.4, 25°C
0.72
-
-
0.022
-
pH 7.4, 25°C, recombinant wild-type AKR1C17
0.014
-
pH 7.0, 30°C
0.81
-
pH 7.5, 25°C
0.51
-
pH 7.5, 25°C
0.022
-
pH 7.4, 25°C, recombinant wild-type AKR1C17
0.05
-
-

Ki Value (18 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE

IC50 Value (3 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.008566
-
inhibition of MAO-B

References & Links

Links to other databases for isatin

ChEBI
PubChem
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PubChem