acompound

Showing entry for (S)-Spinacine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000688
Compound Name	(S)-Spinacine
Structure
Formula	C7H9N3O2
InchiKey	YCFJXOFFQLPCHD-UHFFFAOYSA-N
SMILES	OC(=O)C1CC2=C(CN1)N=CN2
Inchi	InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
IUPAC	1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
Molecular Weight	167.17
Pubchem Id	363935
Chembl Id	CHEMBL152548

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
Q9ES14	BXGT020314	Gamma-aminobutyric acid receptor subunit epsilon	reviewed	-	Gabre	Ki	'>'	50000	nM
Q91ZM7	BXGT019327	GABA theta subunit	unreviewed	-	Gabrq	Ki	'>'	50000	nM
P63138	BXGT011502	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	-	Gabrb2	Ki	'>'	50000	nM
P63079	BXGT011491	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	-	Gabrb3	Ki	'>'	50000	nM
P62813	BXGT011460	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	-	Gabra1	Ki	'>'	50000	nM
P30191	BXGT009410	Gamma-aminobutyric acid receptor subunit alpha-6	reviewed	-	Gabra6	Ki	'>'	50000	nM
P28473	BXGT009261	Gamma-aminobutyric acid receptor subunit gamma-3	reviewed	-	Gabrg3	Ki	'>'	50000	nM
P28471	BXGT009259	Gamma-aminobutyric acid receptor subunit alpha-4	reviewed	-	Gabra4	Ki	'>'	50000	nM
P23576	BXGT008885	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	-	Gabra2	Ki	'>'	50000	nM
P23574	BXGT008884	Gamma-aminobutyric acid receptor subunit gamma-1	reviewed	-	Gabrg1	Ki	'>'	50000	nM
P20236	BXGT008551	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	-	Gabra3	Ki	'>'	50000	nM
P19969	BXGT008536	Gamma-aminobutyric acid receptor subunit alpha-5	reviewed	-	Gabra5	Ki	'>'	50000	nM
P18508	BXGT008412	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	-	Gabrg2	Ki	'>'	50000	nM
P18506	BXGT008410	Gamma-aminobutyric acid receptor subunit delta	reviewed	-	Gabrd	Ki	'>'	50000	nM
P15431	BXGT008122	Gamma-aminobutyric acid receptor subunit beta-1	reviewed	-	Gabrb1	Ki	'>'	50000	nM
O09028	BXGT004049	Gamma-aminobutyric acid receptor subunit pi	reviewed	-	Gabrp	Ki	'>'	50000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00814	Crustaceans		Aquatic foods
BXGF00822	Beverages		Beverages
BXGF00824	Green 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}