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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 A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	CHEMBL22042
Molecular formula	C18H28N4O2
IUPAC name	8-cyclohexyl-7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight	332.448
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione 1,3-dipropyl-7-methyl-8-cyclohexylxanthine BDBM50018168 SCHEMBL5453936
Inchi Key	AMDFTERSBYGODM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
PubChem CID	15627840
ChEMBL	CHEMBL22042
IUPHAR	N/A
BindingDB	50018168
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	2700.0 nM	PMID2724296	BindingDB,ChEMBL
Ki	4200.0 nM	PMID2724296	BindingDB,ChEMBL

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