acompound

Showing entry for Deoxyadenosine

General Compound Information
BXGC Id	BXGC0027565
Compound Name	Deoxyadenosine
Structure
Formula	C10H13N5O3
InchiKey	OLXZPDWKRNYJJZ-RRKCRQDMSA-N
SMILES	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N
Inchi	InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
IUPAC	(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular Weight	251.1
Pubchem Id	13730
Chembl Id	CHEMBL449329

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

3D1

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
Q8RLY5	BXGT018719	Nucleoside 2-deoxyribosyltransferase	unreviewed	ptd	-	-	-	-	-
Q70GK9	BXGT016671	5'-fluoro-5'-deoxy-adenosine synthase	reviewed	flA	-	-	-	-	-
P0A8P1	BXGT007151	Leucyl/phenylalanyl-tRNA--protein transferase	reviewed	aat	-	-	-	-	-
P27707	BXGT009201	Deoxycytidine kinase	reviewed	DCK	Kinase	-	-	-	-
P00813	BXGT005667	Adenosine deaminase	reviewed	ADA	Enzyme	-	-	-	-
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	POLH	-	-	-	-	-
Q2G1L5	BXGT014048	Uncharacterized protein	unreviewed	SAOUHSC_00107	-	-	-	-	-
A0A087WNH6	BXGT000092	Adenosylhomocysteinase	reviewed	ahcY	-	-	-	-	-

Binding DB

50453912

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	23300	-	-	-

CHEMBL

CHEMBL449329

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
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	23300	nM
Q0H0H0	BXGT013085	Deoxyadenosine kinase	unreviewed	-	dak	Kcat/Km	'='	6	10'4/M/s
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Kcat	'='	0	/s
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Ratio	'='	0	/s/microM
Q0H0H0	BXGT013085	Deoxyadenosine kinase	unreviewed	-	dak	Vmax	'='	4	U/mg
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Km	'='	115000	nM
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Kcat	'='	2	/s
Q0H0H0	BXGT013085	Deoxyadenosine kinase	unreviewed	-	dak	Km	'='	29200	nM
P56658	BXGT011188	Adenosine deaminase	reviewed	-	ADA	Vmax	'='	353	uM min-1 (mg of protein)-1
P56658	BXGT011188	Adenosine deaminase	reviewed	-	ADA	Relative Vmax	'='	122	-
P56658	BXGT011188	Adenosine deaminase	reviewed	-	ADA	Ratio	'='	11	-
P04183	BXGT006166	Thymidine kinase, cytosolic	reviewed	Kinase	TK1	ID50	'>'	1000	uM
P56658	BXGT011188	Adenosine deaminase	reviewed	-	ADA	Km	'='	31000	nM
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Displacement	'='	28	%
P04183	BXGT006166	Thymidine kinase, cytosolic	reviewed	Kinase	TK1	Activity	-	-	-
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Km	'='	8500	nM
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Displacement	'='	31	%
Q0H0H0	BXGT013085	Deoxyadenosine kinase	unreviewed	-	dak	Kcat	'='	1	/s
Q04400	BXGT012760	Adenylate cyclase type 5	reviewed	-	Adcy5	IC50	'='	15000	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Displacement	'='	39	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	106	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	112	%
P27707	BXGT009201	Deoxycytidine kinase	reviewed	Kinase	DCK	Ratio	'='	0	/s/microM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
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
BXGF03439	Fritillaria przewalskii	Fritillaria przewalskii	Medicinal Plant
BXGF03811	Euryale ferox	Euryale ferox	Medicinal Plant
BXGF04103	Fritillaria taipaiensis	Fritillaria taipaiensis	Others
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	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}