Ligand cimetidine

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Basic Ligand Information

Molecular Structure
Picture of cimetidine (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C10H16N6S
cimetidine
AQIXAKUUQRKLND-UHFFFAOYSA-N
Synonyms:
2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

Show all pahtways known for Show all pathways known for cimetidine

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
cimetidine + NADPH + O2 = cimetidine S-oxide + NADP+ + H2O
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (7 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
0.2 mM, 2.5% inhibition of hepatic allotype ADH1B*1/*1 activity, 12% inhibition of hepatic allotype ADH1B*2/*2 activity
-
specific inhibition
-
0.5 mM, 50% inhibition of reaction without added electron donor
-
mixed inhibition
-
1% inhibition at 0.01 mM
-

Enzyme Kinetic Parameters

KM Value (2 results)

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

Ki Value (4 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.09
-
-

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.097
-
at pH 7.4 and 37C

References & Links

Links to other databases for cimetidine

ChEBI
PubChem
ChEBI
PubChem