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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	CHEMBL424433
Molecular formula	C15H20N4O4
IUPAC name	tert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate
Molecular weight	320.349
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	0.9
Synonyms	(8E)-1,2,3,6-Tetrahydro-1,3,7-trimethyl-2,6-dioxo-7H-purine-8-acrylic acid tert-butyl ester 8-(trans-2-tert-Butyloxycarbonylvinyl)-1,3,7-trimethylxanthine BDBM50045343 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid tert-butyl ester J3.623.955G 8-[(E)-3-tert-Butoxy-3-oxo-1-propenyl]-1,3,7-trimethylxanthine SCHEMBL7402268 AJUDZDYYJWKDLW-BQYQJAHWSA-N [ Show all ]
Inchi Key	AJUDZDYYJWKDLW-BQYQJAHWSA-N
Inchi ID	InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+
PubChem CID	44322635
ChEMBL	CHEMBL424433
IUPHAR	N/A
BindingDB	50045343
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	12000.0 nM	PMID8410976	BindingDB,ChEMBL

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