acompound

Showing entry for Inosine

General Compound Information
BXGC Id	BXGC0047430
Compound Name	Inosine
Structure
Formula	C10H12N4O5
InchiKey	UGQMRVRMYYASKQ-KQYNXXCUSA-N
SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O
Inchi	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
IUPAC	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
Molecular Weight	268.08
Pubchem Id	135398641
Chembl Id	CHEMBL1556

Targets of Information Source

DrugBank

DB04335

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
Q9GPQ4	BXGT020410	IAG-nucleoside hydrolase	unreviewed	-	-	experimental; investigational	-
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	Enzyme	PNP	experimental; investigational	-
P0ABP8	BXGT007236	Purine nucleoside phosphorylase DeoD-type	reviewed	-	deoD	experimental; investigational	-

PDB

NOS

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
P55859	BXGT011128	Purine nucleoside phosphorylase	reviewed	PNP	-	-	-	-	-
Q9GPQ4	BXGT020410	IAG-nucleoside hydrolase	unreviewed		-	-	-	-	-
P0ABP9	BXGT007237	Purine nucleoside phosphorylase DeoD-type	reviewed	deoD	-	-	-	-	-
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	PNP	Enzyme	-	-	-	-
Q8I3X4	BXGT018215	Purine nucleoside phosphorylase	unreviewed	PF3D7_0513300	-	-	-	-	-
P29724	BXGT009376	Membrane lipoprotein TmpC	reviewed	tmpC	-	-	-	210	-
Q2SZE4	BXGT014196	Ribokinase, putative	unreviewed	BTH_I1158	-	-	-	-	-
P33022	BXGT009688	Pyrimidine-specific ribonucleoside hydrolase RihB	reviewed	rihB	-	-	-	-	-
Q9BMI9	BXGT020101	Purine nucleoside phosphorylase	unreviewed		-	-	-	-	-
Q5EEL8	BXGT015343	Purine nucleoside phosphorylase DeoD-type	reviewed	deoD	-	-	-	-	-
Q7NZ90	BXGT017071	5-methylthioadenosine/S-adenosylhomocysteine deaminase	unreviewed	mtaD	-	-	-	-	-
Q9GU80	BXGT024017	Protein kinase A regulatory subunit	unreviewed	PKA-R	-	-	-	-	-
Q385V6	BXGT024138	Protein kinase A regulatory subunit	unreviewed	Tb11.02.2210	-	-	-	-	-
Q86RB0	BXGT024250	Protein kinase A regulatory subunit	unreviewed	PKAR	-	-	-	-	-
Q8IJA9	BXGT018285	Adenosine deaminase	unreviewed	PF3D7_1029600	-	-	-	-	-
P84138	BXGT025616	Purine nucleoside phosphorylase YlmD	reviewed	ylmD	-	-	-	-	-

Binding DB

22104

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	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	-	-	-	>300000
reviewed	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	925000	-	-	-
reviewed	BXGT011188	Adenosine deaminase	reviewed		ADA	500000	-	-	-

CHEMBL

CHEMBL1556

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
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	20596	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	1258	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	k cat	'='	44	M-1
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	707	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	Km	'='	2500	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	794	nM
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	158	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	Ki	'='	925000	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	891	nM
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	Enzyme	PNP	Km	'='	750000	nM
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	Enzyme	PNP	Km	'='	40000	nM
O15245	BXGT004141	Solute carrier family 22 member 1	reviewed	Transporter	SLC22A1	Activity	-	-	-
P56658	BXGT011188	Adenosine deaminase	reviewed	-	ADA	Ki	'='	500000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	29092	nM
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	Enzyme	PNP	Activity	'='	100	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	5804	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	110	%
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	112	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	107	%
P50389	BXGT010795	Purine nucleoside phosphorylase	reviewed	-	SSO2706	Drug metabolism	'='	84000	nmol/mg/hr
P00491	BXGT005555	Purine nucleoside phosphorylase	reviewed	Enzyme	PNP	Drug metabolism	'='	391000	nmol/mg/hr

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00522	Narrowleaf cattail	Typha angustifolia	Vegetables
BXGF01093	Fritillaria pallidiflora	Fritillaria pallidiflora	Medicinal Plant
BXGF01347	Fritillaria delavayi	Fritillaria delavayi	Medicinal Plant
BXGF01413	Fritillaria verticillata	Fritillaria verticillata	Medicinal Plant
BXGF01479	Fritillaria cirrhosa	Fritillaria cirrhosa	Medicinal Plant
BXGF01776	Fritillaria prezewalskii	Fritillaria prezewalskii	Others
BXGF01913	Fritillaria unibracteata	Fritillaria unibracteata	Medicinal Plant
BXGF02725	Fritillaria walujewii	Fritillaria walujewii	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF03439	Fritillaria przewalskii	Fritillaria przewalskii	Medicinal Plant
BXGF03811	Euryale ferox	Euryale ferox	Medicinal Plant
BXGF04103	Fritillaria taipaiensis	Fritillaria taipaiensis	Others
BXGF04600	Typha orientalis	Typha orientalis	Medicinal Plant
BXGF05281	Fritillaria thunbergii	Fritillaria thunbergii	Medicinal Plant
BXGF05505	Fritillaria ussuriensis	Fritillaria ussuriensis	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05915	Fritillaria hupehensis	Fritillaria hupehensis	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}