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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	1-Propylxanthine
Molecular formula	C8H10N4O2
IUPAC name	1-propyl-3,7-dihydropurine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.6
Synonyms	104285-82-7 CHEMBL39986 DTXSID10146367 1-propyl-3,7-dihydropurine-2,6-dione BDBM50001490 SCHEMBL8930198 1H-Purine-2,6-dione, 3,7-dihydro-1-propyl- CTK4A2909 AC1L2TY0 IWBONKMODGBEOX-UHFFFAOYSA-N 1H-Purine-2,6-dione,3,9-dihydro-1-propyl- D0LD0X 1-Propyl-3,7-dihydro-purine-2,6-dione ACMC-1BNN6 SCHEMBL4423680 [ Show all ]
Inchi Key	IWBONKMODGBEOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)
PubChem CID	128525
ChEMBL	CHEMBL39986
IUPHAR	N/A
BindingDB	50001490
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2370.0 nM	PMID12014951	BindingDB,ChEMBL

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