acompound

Showing entry for S-Allylcysteine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006268
Compound Name	S-Allylcysteine
Structure
Formula	C6H11NO2S
InchiKey	ZFAHNWWNDFHPOH-UHFFFAOYSA-N
SMILES	NC(CSCC=C)C(O)=O
Inchi	InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
IUPAC	2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid
Molecular Weight	161.22
Pubchem Id	98280
Chembl Id	CHEMBL1592541

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
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	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
BXGF00212	Chinese chives	Allium tuberosum	Herbs and Spices
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00807	Onion-family vegetables		Vegetables

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}