acompound

Showing entry for Ginkgolide B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0008379
Compound Name	Ginkgolide B
Structure
Formula	C20H24O10
InchiKey	SQOJOAFXDQDRGF-MMQTXUMRSA-N
SMILES	C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O
Inchi	InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
IUPAC	8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,?.0?,11.013,1?]nonadecane-5,15,18-trione
Molecular Weight	424.4
Pubchem Id	6324617
Chembl Id	CHEMBL514432

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	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	-	128	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	-	-	180
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	740	-	-
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	1700	-	-
reviewed	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	-	3700	-	-
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	2100	-	-
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	2900	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	418	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	880	-	-	-

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
P25105	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	IC50	'='	128	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Ki	'='	880	nM
P23416	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	IC50	'='	3700	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	EC50	'='	180	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	740	nM
P23416	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	IC50	'='	3981	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	1995	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-7	%
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	2900	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	1700	nM
P25105	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	Binding affinity	'='	0	uM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	2100	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	11220	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	3162	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	418	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	9	%
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
P25105	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	Binding affinity	'='	6	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils

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}