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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	CHEMBL444281
Molecular formula	C25H27N5O5
IUPAC name	2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide
Molecular weight	477.521
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.8
Synonyms	2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide # N-(4-Hydroxyphenyl)-2-[4-(1,3-dipropyl-2,6-dioxo-3,7-dihydro-1H-purine-8-yl)phenoxy]acetamide AC1LBT56 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide Xanthatin, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]- AOXCQJMAPNFAQR-UHFFFAOYSA-N 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide Xanthine, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]- BDBM50021085 [ Show all ]
Inchi Key	AOXCQJMAPNFAQR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
PubChem CID	541759
ChEMBL	CHEMBL444281
IUPHAR	N/A
BindingDB	50021085
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	4.1 nM	PMID2993622	BindingDB,ChEMBL
Ki	5.88 nM	PMID10737749	BindingDB,ChEMBL

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