acompound

Showing entry for Calystegine B2

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017498
Compound Name	Calystegine B2
Structure
Formula	C7H13NO4
InchiKey	FXFBVZOJVHCEDO-IBISWUOJSA-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,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
Molecular Weight	175.08
Pubchem Id	124434
Chembl Id	CHEMBL526330

Targets of Information Source

DrugBank

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
Q08638	BXGT012997	Beta-glucosidase A	reviewed	-	bglA	experimental	-

PDB

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
Q08638	BXGT012997	Beta-glucosidase A	reviewed	bglA	-	-	-	3300	-
P48825	BXGT010665	Beta-glucosidase 1	reviewed		-	4600000	-	-	-

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	-	5100	-	-
reviewed	BXGT006140	Lysosomal acid glucosylceramidase	reviewed		GBA	3800	-	-	-
reviewed	BXGT006140	Lysosomal acid glucosylceramidase	reviewed		GBA	-	1000	-	-

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	IC50	'='	5100	nM
Q9Y865	BXGT022353	Probable alpha-galactosidase B	reviewed	-	aglB	Inhibition	'='	50	%
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Ki	'='	3800	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	IC50	'='	1000	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	FC	'='	1	-
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Activity	'>'	68	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF04607	Morus alba	Morus alba	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}