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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	CHEMBL11120
Molecular formula	C13H13N5O2
IUPAC name	8-(2-aminophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	271.28
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	PDSP2_000973 8-(2-Aminophenyl)theophylline BDBM50020847 PDSP1_000989 8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Inchi Key	PFYRHBKLMLLPGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,14H2,1-2H3,(H,15,16)
PubChem CID	13525064
ChEMBL	CHEMBL11120
IUPHAR	N/A
BindingDB	50020847
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	5.5 nM	PMID3806606	BindingDB,ChEMBL
IC50	9.12011e+11 nM	PMID2991519	ChEMBL
Ki	82.9 nM	PMID3010074	BindingDB
Ki	850.0 nM	PMID2984420	BindingDB,ChEMBL
PCY	4.3 -	PMID3806606	ChEMBL

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