acompound

Showing entry for (S)-Willardiine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025199
Compound Name	(S)-Willardiine
Structure
Formula	C7H9N3O4
InchiKey	FACUYWPMDKTVFU-BYPYZUCNSA-N
SMILES	OC(=O)[C@H](Cn1ccc(nc1=O)O)N
Inchi	InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
IUPAC	(2S)-2-azaniumyl-3-(2,4-dioxopyrimidin-1-yl)propanoate
Molecular Weight	199.06
Pubchem Id	440053
Chembl Id	CHEMBL122005

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

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
P19491	BXGT008489	Glutamate receptor 2	reviewed	Gria2	-	-	4760	-	-

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	BXGT010294	Glutamate receptor 2	reviewed	Ion channel	GRIA2	898	-	-	-
reviewed	BXGT013630	Glutamate receptor ionotropic, kainate 5	reviewed	Ion channel	GRIK5	28900	-	-	-
reviewed	BXGT010293	Glutamate receptor 1	reviewed	Ion channel	GRIA1	386	-	-	-
reviewed	BXGT010614	Glutamate receptor 4	reviewed	Ion channel	GRIA4	8850	-	-	-
reviewed	BXGT008488	Glutamate receptor 1	reviewed		Gria1	-	-	-	11500

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
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	18492	nM
P19491	BXGT008489	Glutamate receptor 2	reviewed	-	Gria2	EC50	-	-	-
P19490	BXGT008488	Glutamate receptor 1	reviewed	-	Gria1	EC50	'='	11500	nM
Q04609	BXGT012768	Glutamate carboxypeptidase 2	reviewed	Enzyme	FOLH1	IC50	'='	67000	nM
P19492	BXGT008490	Glutamate receptor 3	reviewed	-	Gria3	EC50	-	-	-
Q16478	BXGT013630	Glutamate receptor ionotropic, kainate 5	reviewed	Ion channel	GRIK5	Ki	'='	28900	nM
P48058	BXGT010614	Glutamate receptor 4	reviewed	Ion channel	GRIA4	Ki	'='	8850	nM
P42261	BXGT010293	Glutamate receptor 1	reviewed	Ion channel	GRIA1	Ki	'='	386	nM
P42262	BXGT010294	Glutamate receptor 2	reviewed	Ion channel	GRIA2	Ki	'='	898	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	1500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05319	Lindera aggregata	Lindera aggregata	Others

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}