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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	3-isopropyl-1-methylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1-methyl-3-propan-2-yl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.8
Synonyms	102284-72-0 3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione D0M7AX ACMC-20m5ap 1-methyl-3-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione CHEMBL26119 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(1-methylethyl)- DTXSID50436895 BDBM50025581 1-Methyl-3-isopropylxanthine 3-isopropyl-1-methyl xanthine CTK0D9143 [ Show all ]
Inchi Key	ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-4-11-7)8(14)12(3)9(13)15/h4-5H,1-3H3,(H,10,11)
PubChem CID	10219934
ChEMBL	CHEMBL26119
IUPHAR	N/A
BindingDB	50025581
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	12000.0 nM	PMID8230124, PMID3806581	BindingDB,ChEMBL

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