acompound

Showing entry for 2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023134
Compound Name	2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
Structure
Formula	C19H19N7O6
InchiKey	OVBPIULPVIDEAO-UHFFFAOYSA-N
SMILES	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(=N)[nH]2
Inchi	InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
IUPAC	2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Weight	441.14
Pubchem Id	135444779
Chembl Id	CHEMBL277040

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
P06280	BXGT006433	Alpha-galactosidase A	reviewed	-	GLA	Potency	'='	44668	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	50118	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	35481	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	3162	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	28183	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	39810	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	11885	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	22387	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	31622	nM
O00167	BXGT003887	Eyes absent homolog 2	reviewed	-	EYA2	Potency	-	16946	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00106	Mango	Mangifera indica	Fruits
BXGF00178	Spinach	Spinacia oleracea	Vegetables
BXGF00353	Java plum	Syzygium cumini	Fruits
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	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}