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GLASS

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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.
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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	CHEMBL417654
Molecular formula	C10H14N4O2
IUPAC name	1,7-dimethyl-3-propylpurine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.8
Synonyms	NSC-400033 ZINC12405449 BDBM50001497 DHYGGYFMXYRIGJ-UHFFFAOYSA-N 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-propyl- NSC400033 7464-76-8 1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione DTXSID60321920 3-Propyl-1,7-dimethylxanthine Paraxanthine, n-propyl derivative AC1L7YR8 1,7-dimethyl-3-propylpurine-2,6-dione [ Show all ]
Inchi Key	DHYGGYFMXYRIGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
PubChem CID	343627
ChEMBL	CHEMBL417654
IUPHAR	N/A
BindingDB	50001497
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	24000.0 nM	PMID3806581	BindingDB,ChEMBL

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