acompound

Showing entry for calystegine B(2)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038744
Compound Name	calystegine B(2)
Structure
Formula	C7H13NO4
InchiKey	FXFBVZOJVHCEDO-BNWJMWRWSA-N
SMILES	O[C@@H]1[C@H]2CC[C@](N2)([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4-,5-,6+,7-/m1/s1
IUPAC	(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
Molecular Weight	175.08
Pubchem Id	10559162
Chembl Id	CHEMBL3233945

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	BXGT006140	Lysosomal acid glucosylceramidase	reviewed		GBA	-	175000	-	-
reviewed	BXGT006140	Lysosomal acid glucosylceramidase	reviewed		GBA	98000	-	-	-

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
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Activity	-	-	-
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	IC50	'='	175000	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Ki	'='	98000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00925	Scopolia carniolica	Scopolia carniolica	Medicinal Plant
BXGF02243	Scopolia parviflora	Scopolia parviflora	Medicinal Plant
BXGF04135	Atropa belladonna	Atropa belladonna	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05172	Scopolia japonica	Scopolia japonica	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}