acompound

Showing entry for alliin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029111
Compound Name	alliin
Structure
Formula	C6H11NO3S
InchiKey	XUHLIQGRKRUKPH-DYEAUMGKSA-N
SMILES	N[C@H](C(=O)O)C[S@@](=O)CC=C
Inchi	InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1
IUPAC	(2R)-2-azaniumyl-3-[(S)-prop-2-enylsulfinyl]propanoate
Molecular Weight	177.05
Pubchem Id	9576089
Chembl Id	CHEMBL2048655

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

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
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	-	-	-

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
BXGF05863	Allium azureum ledeb	Allium azureum ledeb	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}