Showing entry for 3-(Methylthio)propanal


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004404
Compound Name3-(Methylthio)propanal
Structure
FormulaC4H8OS
InchiKeyCLUWOWRTHNNBBU-UHFFFAOYSA-N
SMILESCSCCC=O
InchiInChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
IUPAC3-(methylsulfanyl)propanal
Molecular Weight104.17
Pubchem Id18635
Chembl IdCHEMBL333298
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL333298
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 19952 nM
P00959 BXGT005704 Methionine--tRNA ligase reviewed - metG Inhibition '=' 4 %
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 44668 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00008 Garlic Allium sativum Herbs and Spices
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00812 Cocoa and cocoa products Cocoa and cocoa products
BXGF00815 Milk and milk products Milk and milk products
BXGF00821 Nuts Nuts
BXGF00823 Fruits Fruits
BXGF00824 Green vegetables Vegetables
BXGF00946 Artemisia montana Artemisia montana Medicinal Plant
BXGF03953 Artemisia princeps Artemisia princeps Medicinal Plant
BXGF04611 Artemisia argyi Artemisia argyi Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease