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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	CHEMBL304455
Molecular formula	C9H8N4O2
IUPAC name	3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione
Molecular weight	204.189
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.1
Synonyms	3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione BDBM50042208 3-methyl-1-propargylxanthine 1-Propargyl-3-methyl-7H-purine-2,6(1H,3H)-dione
Inchi Key	HTCXWSNPZFYUKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
PubChem CID	14978313
ChEMBL	CHEMBL304455
IUPHAR	N/A
BindingDB	50042208
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	820.0 nM	PMID8230124, PMID9435909	ChEMBL
Ki	820.0 nM	PMID8230124, PMID9435909	BindingDB
Ki	5830.0 nM	PMID12014951	BindingDB,ChEMBL

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