acompound

Showing entry for 4a-carbinolamine tetrahydrobiopterin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023600
Compound Name	4a-carbinolamine tetrahydrobiopterin
Structure
Formula	C9H13N5O3
InchiKey	ZHQJVZLJDXWFFX-RPDRRWSUSA-N
SMILES	C[C@@H]([C@@H]([C@H]1CN=c2c(=N1)c(O)nc(=N)[nH]2)O)O
Inchi	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
IUPAC	(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-1H-pteridin-4-one
Molecular Weight	239.1
Pubchem Id	135398653
Chembl Id

Targets of Information Source

DrugBank

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
P00439	BXGT005539	Phenylalanine-4-hydroxylase	reviewed	-	PAH	experimental	-

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	Nos2	-	-	-	-	-
P00439	BXGT005539	Phenylalanine-4-hydroxylase	reviewed	PAH	-	-	-	-	-
O34453	BXGT004478	Nitric oxide synthase oxygenase	reviewed	nos	-	-	-	-	-
Q2Q449	BXGT014160	Pterin-4a-carbinolamine dehydratase	unreviewed	pcd	-	-	-	-	-
P29473	BXGT009351	Nitric oxide synthase, endothelial	reviewed	NOS3	-	-	-	-	-
P35228	BXGT009800	Nitric oxide synthase, inducible	reviewed	NOS2	-	-	-	-	-

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

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00105	Apple	Malus pumila	Fruits
BXGF04132	Mallotus philippensis	Mallotus philippensis	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05829	Acacia arabica	Acacia arabica	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}