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GLASS

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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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL605273
Molecular formula	C15H23N5O4
IUPAC name	(3R,4S,5R)-2-[6-(2,2-dimethylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	337.38
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.3
Synonyms	BDBM50368580
Inchi Key	FJICLPJJPLLNRW-OYBGHCQBSA-N
Inchi ID	InChI=1S/C15H23N5O4/c1-15(2,3)5-16-12-9-13(18-6-17-12)20(7-19-9)14-11(23)10(22)8(4-21)24-14/h6-8,10-11,14,21-23H,4-5H2,1-3H3,(H,16,17,18)/t8-,10-,11-,14?/m1/s1
PubChem CID	46874737
ChEMBL	CHEMBL605273
IUPHAR	N/A
BindingDB	50368580
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	17.0 nM	PMID1548682	BindingDB,ChEMBL

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