acompound

Showing entry for Xanthine

General Compound Information
BXGC Id	BXGC0038499
Compound Name	Xanthine
Structure
Formula	C5H4N4O2
InchiKey	LRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES	Oc1nc(O)c2c(n1)[nH]cn2
Inchi	InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
IUPAC	3,7-dihydropurine-2,6-dione
Molecular Weight	152.03
Pubchem Id	1188
Chembl Id	CHEMBL1424

Targets of Information Source

DrugBank

DB02134

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
P45563	BXGT010469	Purine nucleoside phosphorylase 2	reviewed	-	xapA	experimental	-
P0A9M5	BXGT007194	Xanthine phosphoribosyltransferase	reviewed	-	gpt	experimental	-

PDB

XAN

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
P0A9M5	BXGT007194	Xanthine phosphoribosyltransferase	reviewed	gpt	-	-	-	-	-
P45563	BXGT010469	Purine nucleoside phosphorylase 2	reviewed	xapA	-	-	-	-	-
Q9Y2T3	BXGT022246	Guanine deaminase	reviewed	GDA	Enzyme	-	-	-	-
O54051	BXGT004718	Xanthine dehydrogenase	unreviewed	xdhB	-	-	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	XDH	-	-	-	-	-
Q00511	BXGT012529	Uricase	reviewed	uaZ	-	-	-	-	-
Q66D48	BXGT016167	Purine nucleoside phosphorylase	unreviewed	xapA	-	-	-	-	-
Q89XR0	BXGT017749	Blr0248 protein	unreviewed	blr0248	-	-	-	-	-
Q39ZI0	BXGT014394	Uncharacterized protein	unreviewed	Gmet_0095	-	-	-	-	-
Q07307	BXGT012922	Uric acid-xanthine permease	reviewed	uapA	-	-	-	-	-
Q07729	BXGT025080	Probable guanine deaminase	reviewed	GUD1	-	-	-	-	-

Binding DB

82009

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	BXGT009016	Adenosine receptor A1	reviewed		Adora1	>10000	-	-	-
reviewed	BXGT009236	Adenosine receptor A1	reviewed		ADORA1	>10000	-	-	-
reviewed	BXGT009327	Adenosine receptor A2a	reviewed	G-protein coupled receptor	ADORA2A	>10000	-	-	-
reviewed	BXGT010581	Adenosine receptor A1	reviewed		ADORA1	>200000	-	-	-
reviewed	BXGT009327	Adenosine receptor A2a	reviewed	G-protein coupled receptor	ADORA2A	-	-	-	>100000
reviewed	BXGT022246	Guanine deaminase	reviewed	Enzyme	GDA	1960	-	-	-
reviewed	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	130000	-	-	-
reviewed	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed		PDE4B	>200000	-	-	-
reviewed	BXGT005982	Ricin	reviewed		-	-	3600000	-	-

CHEMBL

CHEMBL1424

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
P00492	BXGT005556	Hypoxanthine-guanine phosphoribosyltransferase	reviewed	Enzyme	HPRT1	Km(app)	-	-	-
P07650	BXGT006654	Thymidine phosphorylase	reviewed	-	deoA	Activity	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Activity	-	-	-
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	Ki	'>'	200000	nM
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	Ki	'>'	200000	nM
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	Ki	'>'	200000	nM
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	Ki	'>'	200000	nM
Q9Y2T3	BXGT022246	Guanine deaminase	reviewed	Enzyme	GDA	Inhibition	-	-	-
P47745	BXGT010581	Adenosine receptor A1	reviewed	-	ADORA1	EC15	'>'	100	uM
P47745	BXGT010581	Adenosine receptor A1	reviewed	-	ADORA1	Ki	'>'	200000	nM
P02879	BXGT005982	Ricin	reviewed	-		IC50	'='	3600000	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Km	'='	21400	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	50	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Ki	'='	130000	nM
P29276	BXGT009329	Adenosine receptor A2b	reviewed	-	Adora2b	Ki	'='	130000	nM
P29274	BXGT009327	Adenosine receptor A2a	reviewed	G-protein coupled receptor	ADORA2A	EC50	'>'	100000	nM
Q9Y2T3	BXGT022246	Guanine deaminase	reviewed	Enzyme	GDA	Ki	'='	1960	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Vmax	'='	2	microM/min
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'>'	50000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	9000	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
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF03811	Euryale ferox	Euryale ferox	Medicinal Plant
BXGF03879	Arisaema heterophyllum	Arisaema heterophyllum	Medicinal Plant
BXGF04585	Arisaema amurense	Arisaema amurense	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05499	Arisaema erubescens	Arisaema erubescens	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF06143	Persicaria tinctoria	Persicaria tinctoria	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}