acompound

Showing entry for Aristeromycin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052972
Compound Name	Aristeromycin
Structure
Formula	C11H15N5O3
InchiKey	UGRNVLGKAGREKS-GCXDCGAKSA-N
SMILES	OC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Inchi	InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
IUPAC	(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Weight	265.12
Pubchem Id	65269
Chembl Id	CHEMBL49935

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

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
Q5CPH1	BXGT015300	Adenosylhomocysteinase	unreviewed	cgd3_80	-	-	-	-	-

Binding DB

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	BXGT009282	Adenosine receptor A3	reviewed		Adora3	200000	-	-	-
reviewed	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	-	303	-	-
reviewed	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	2150	-	-	-
reviewed	BXGT009328	Adenosine receptor A2b	reviewed	G-protein coupled receptor	ADORA2B	47300	-	-	-
reviewed	BXGT009282	Adenosine receptor A3	reviewed		Adora3	20000	-	-	-
reviewed	BXGT009016	Adenosine receptor A1	reviewed		Adora1	6260	-	-	-
reviewed	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	-	4850	-	-
reviewed	BXGT010786	Adenosylhomocysteinase	reviewed		PFE1050w	-	57000	-	-
reviewed	BXGT006121	Adenosine deaminase	reviewed		Ada	9900	-	-	-
reviewed	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	110	-	-	-

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
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Displacement	'='	3	%
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	Ki	'='	110	nM
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Ratio	'='	0	-
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ratio	'='	0	-
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	IC50	'='	4850	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	Ki	-	-	-
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	Inhibition	'='	99	%
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	6260	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Ki	'='	2150	nM
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Ki	'='	200000	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	k2	-	-	-
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Displacement	'='	0	%
P03958	BXGT006121	Adenosine deaminase	reviewed	-	Ada	Ki	'='	9900	nM
P23526	BXGT008878	Adenosylhomocysteinase	reviewed	Enzyme	AHCY	IC50	'='	303	nM
P50250	BXGT010786	Adenosylhomocysteinase	reviewed	-	PFE1050w	IC50	'='	57000	nM
P29275	BXGT009328	Adenosine receptor A2b	reviewed	G-protein coupled receptor	ADORA2B	Ki	'='	47300	nM
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Ki	'='	20000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	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}