Showing entry for S-Propyl 1-propanesulfinothioate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006348
Compound NameS-Propyl 1-propanesulfinothioate
Structure
FormulaC6H14OS2
InchiKeyXPRZAEWSYWTDSQ-UHFFFAOYSA-N
SMILESCCCSS(=O)CCC
InchiInChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3
IUPAC1-[(propane-1-sulfinyl)sulfanyl]propane
Molecular Weight166.31
Pubchem Id74761
Chembl IdCHEMBL1224166
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 50325647
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
reviewed BXGT006689 Cathepsin B reviewed Enzyme CTSB 15600 - - -
reviewed BXGT006661 Cathepsin L1 reviewed Enzyme CTSL 11300 - - -
CHEMBL CHEMBL1224166
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
Q95PM0 BXGT019584 Cysteine protease unreviewed - rhodesain Ki '=' 4440 nM
Q95PM0 BXGT019584 Cysteine protease unreviewed - rhodesain TDI '=' 7150 /min/M
P07858 BXGT006689 Cathepsin B reviewed Enzyme CTSB Ki '=' 15600 nM
P07711 BXGT006661 Cathepsin L1 reviewed Enzyme CTSL Ki '=' 11300 nM
P07711 BXGT006661 Cathepsin L1 reviewed Enzyme CTSL TDI '=' 6664 /min/M
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00807 Onion-family vegetables Vegetables
BXGF05800 Mimosa pudica Mimosa pudica 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