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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	CHEMBL10873
Molecular formula	C15H14N4O2
IUPAC name	3-methyl-8-phenyl-1-prop-2-enyl-7H-purine-2,6-dione
Molecular weight	282.303
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	1-Allyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione BDBM50020960 SCHEMBL9765909 1-allyl-3-methyl-8-phenylxanthine
Inchi Key	MJCQAXMJLOGLCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,16,17)
PubChem CID	10379032
ChEMBL	CHEMBL10873
IUPHAR	N/A
BindingDB	50020960
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.23872e+11 nM	PMID2991519	ChEMBL
Ki	100.0 nM	PMID8230124	BindingDB,ChEMBL
Ki	302.0 nM	PMID12014951	BindingDB,ChEMBL

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