acompound

Showing entry for Schisandrin B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024217
Compound Name	Schisandrin B
Structure
Formula	C23H28O6
InchiKey	RTZKSTLPRTWFEV-UHFFFAOYSA-N
SMILES	COc1cc2CC(C)C(C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Inchi	InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
IUPAC
Molecular Weight	400.19
Pubchem Id	108130
Chembl Id	CHEMBL479488

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	BXGT011846	DNA-dependent protein kinase catalytic subunit	reviewed	Kinase	PRKDC	-	>1000000000	-	-
reviewed	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	-	7200	-	-
reviewed	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	-	1740000	-	-
reviewed	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	-	7300	-	-

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
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
Q13535	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	IC50	'='	7300	nM
P78527	BXGT011846	DNA-dependent protein kinase catalytic subunit	reviewed	Kinase	PRKDC	IC50	'>'	1000000000	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	5011	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	5011	nM
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	IC50	'='	1740000	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1
Q13535	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	IC50	'='	7200	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	1	ug.mL-1
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	0	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03893	Schisandra rubriflora	Schisandra rubriflora	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}