Ligand 3,4-dichloroisocoumarin

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Basic Ligand Information

Molecular Structure
Picture of 3,4-dichloroisocoumarin (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C9H4ClO2
3,4-dichloroisocoumarin
SUGXUUGGLDCZKB-UHFFFAOYSA-N
Synonyms:
3,4-Dichlorisocoumarin, 3,4-dichloro-1H-2-benzopyran-1-one, 3,4-dichloro-1H-isochromen-1-one, 3,4-dichloro-isocoumarin, 3,4-dichloroisocoumarine, DCIC

Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3,4-dichloroisocoumarin + H2O = ?
show the reaction diagram
-
3,4-dichloroisocoumarin + H2O = ?
show the reaction diagram
-

Activator in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (66 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
weak inhibition
-
78% inhibition at 1 mM, 56% inhibition at 0.1 mM
-
effective inhibitor
-
complete inhibition at 0.2 mM
-
94% inhibition at 0.1 mM
-
potent slow binding inhibitor, 100% inhibition by 0.05 mM
-
0.3 mM, 62% inhibition of isoform -1S-SprE
-
mechanism-based inactivation
causes total inhibition
-
complete and irreversible inhibition with 0.1 mM
-
0.03 mM, 50% inhibition
-
strong inhibitor at 0.25 mM
-
1 mM, 49% inhibition
-
0.05 mM, 11% inhibition
-
71% inhibition at 1 mM
-
0.2 mM, 50% inhibition
-
a broad spectrum covalent inhibitor of serine proteases, the structural homologues of 3,4-dichloroisocoumarin, 7-amino-4-chloro-3-methoxy-1H-2-benzopyran and 3-phenyl-1H-2-benzopyran-1-one, show significantly poorer inhibition
-

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

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
TABLE ID
0.03
-
-
27308

IC50 Value (4 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.0006
-
-
0.011
-
-

References & Links

Links to other databases for 3,4-dichloroisocoumarin

ChEBI
PubChem
ChEBI
PubChem