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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	1,3-dibenzyl-3,7-dihydro-1h-purine-2,6-dione
Molecular formula	C19H16N4O2
IUPAC name	1,3-dibenzyl-7H-purine-2,6-dione
Molecular weight	332.363
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.0
Synonyms	CTK4G7326 1H-Purine-2,6-dione,3,9-dihydro-1,3-bis(phenylmethyl)- NSC70563 AC1L5IF2 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione D0LM1Q 31542-68-4 SCHEMBL3107001 1,3-Dibenzyl-1H-purine-2,6(3H,7H)-dione AC1Q6LGR CHEMBL24774 1,3-dibenzyl-7H-purine-2,6-dione NSC-70563 BDBM50025573 [ Show all ]
Inchi Key	NHCLZKKZQJJXER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N4O2/c24-18-16-17(21-13-20-16)22(11-14-7-3-1-4-8-14)19(25)23(18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21)
PubChem CID	250782
ChEMBL	CHEMBL24774
IUPHAR	N/A
BindingDB	50025573
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	7000.0 nM	PMID6090665	BindingDB,ChEMBL
Ki	2000.0 nM	PMID7932565, PMID3806581	BindingDB,ChEMBL

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