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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	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL346676
Molecular formula	C16H23FN4O2
IUPAC name	8-cyclopentyl-1-(2-fluoropropyl)-3-propyl-7H-purine-2,6-dione
Molecular weight	322.384
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	8-Cyclopentyl-1-(2-fluoro-propyl)-3-propyl-3,7-dihydro-purine-2,6-dione 1-(2-Fluoropropyl)-3-propyl-8-cyclopentylxanthine BDBM50062857
Inchi Key	CUKFVHUCWRAPGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H23FN4O2/c1-3-8-20-14-12(15(22)21(16(20)23)9-10(2)17)18-13(19-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
PubChem CID	10782088
ChEMBL	CHEMBL346676
IUPHAR	N/A
BindingDB	50062857
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	1.23 nM	PMID9484505	BindingDB,ChEMBL

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