acompound

Showing entry for Allitridin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002358
Compound Name	Allitridin
Structure
Formula	C6H10S3
InchiKey	UBAXRAHSPKWNCX-UHFFFAOYSA-N
SMILES	C=CCSSSCC=C
Inchi	InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
IUPAC	bis(prop-2-en-1-yl)trisulfane
Molecular Weight	178.34
Pubchem Id	16315
Chembl Id	CHEMBL123040

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	BXGT007788	Fatty acid synthase	reviewed		FASN	-	8370	-	-
reviewed	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	-	-	490

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
P00390	BXGT005526	Glutathione reductase, mitochondrial	reviewed	Enzyme	GSR	k cat	'='	0	s-1
P00390	BXGT005526	Glutathione reductase, mitochondrial	reviewed	Enzyme	GSR	k cat	'='	0	s-1
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	25118	nM
P00390	BXGT005526	Glutathione reductase, mitochondrial	reviewed	Enzyme	GSR	k cat/Km	'='	1000	M-1 s-1
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	EC50	'='	490	nM
P51170	BXGT010843	Amiloride-sensitive sodium channel subunit gamma	reviewed	Ion channel	SCNN1G	Inhibition	-	-	-
P51168	BXGT010842	Amiloride-sensitive sodium channel subunit beta	reviewed	Ion channel	SCNN1B	Inhibition	-	-	-
P37088	BXGT009961	Amiloride-sensitive sodium channel subunit alpha	reviewed	Ion channel	SCNN1A	Inhibition	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	39810	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	100000	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	39810	nM
P00390	BXGT005526	Glutathione reductase, mitochondrial	reviewed	Enzyme	GSR	Km	'='	160000	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	12589	nM
P12276	BXGT007788	Fatty acid synthase	reviewed	-	FASN	IC50	'='	8370	nM
P68871	BXGT011615	Hemoglobin subunit beta	reviewed	-	HBB	Activity	-	-	-
P69905	BXGT011649	Hemoglobin subunit alpha	reviewed	-	HBA1;	Activity	-	-	-
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	28183	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	22387	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
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00807	Onion-family vegetables		Vegetables
BXGF01154	Elephantopus angustifolius	Elephantopus angustifolius	Others
BXGF01521	Sarcocephalus latifolius	Sarcocephalus latifolius	Human Edible Plant
BXGF03099	Berberis integerrima	Berberis integerrima	Medicinal Plant
BXGF05014	Loranthus parasiticus	Loranthus parasiticus	Medicinal Plant
BXGF05233	Libocedrus decurrens	Libocedrus decurrens	Others
BXGF05289	Allium macrostemon	Allium macrostemon	Medicinal Plant
BXGF05863	Allium azureum ledeb	Allium azureum ledeb	Others
BXGF05971	Aniba megaphylla	Aniba megaphylla	Others
BXGF06004	Allium chinense	Allium chinense	Medicinal Plant
BXGF06097	Herbertus sakuraii	Herbertus sakuraii	Others
BXGF06317	Isoplexis sceptrum	Isoplexis sceptrum	Others

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}