acompound

Showing entry for 2-Propene-1-sulfinothiocic-acids 2-propenyl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002599
Compound Name	2-Propene-1-sulfinothiocic-acids 2-propenyl ester
Structure
Formula	C6H10OS2
InchiKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N
SMILES	C=CCSS(=O)CC=C
Inchi	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
IUPAC	3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene
Molecular Weight	162.27
Pubchem Id	65036
Chembl Id	CHEMBL359965

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

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	8600	-	-	-
reviewed	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	9300	-	-	-
reviewed	BXGT017916	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	-	-	1320
reviewed	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	-	-	1910
reviewed	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed		Trpv1	-	-	-	51220

CHEMBL

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
P51639	BXGT010870	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	Hmgcr	Ratio	'='	2	-
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	Ki	'='	8600	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	EC50	'='	1910	nM
P51170	BXGT010843	Amiloride-sensitive sodium channel subunit gamma	reviewed	Ion channel	SCNN1G	Inhibition	'='	77	%
P51168	BXGT010842	Amiloride-sensitive sodium channel subunit beta	reviewed	Ion channel	SCNN1B	Inhibition	'='	77	%
P37088	BXGT009961	Amiloride-sensitive sodium channel subunit alpha	reviewed	Ion channel	SCNN1A	Inhibition	'='	77	%
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	Inhibition	-	-	-
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	IC50	'='	500	nM
Q95PM0	BXGT019584	Cysteine protease	unreviewed	-	rhodesain	Inhibition	-	-	-
Q95PM0	BXGT019584	Cysteine protease	unreviewed	-	rhodesain	Ki	'='	5310	nM
Q8BLA8	BXGT017916	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	EC50	'='	1320	nM
O35433	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed	-	Trpv1	EC50	'='	51220	nM
P07711	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	Inhibition	-	-	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Activity	'='	0	uM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Activity	'='	10	uM
P51639	BXGT010870	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	Hmgcr	Decrease	'='	27	%
P07711	BXGT006661	Cathepsin L1	reviewed	Enzyme	CTSL	Ki	'='	9300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00008	Garlic	Allium sativum	Herbs and Spices
BXGF00227	Welsh onion	Allium fistulosum	Herbs and Spices
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00807	Onion-family vegetables		Vegetables
BXGF05289	Allium macrostemon	Allium macrostemon	Medicinal Plant
BXGF06004	Allium chinense	Allium chinense	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}