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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.
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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	CHEMBL11385
Molecular formula	C13H11N5O4
IUPAC name	1,3-dimethyl-8-(3-nitrophenyl)-7H-purine-2,6-dione
Molecular weight	301.262
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.0
Synonyms	BDBM50020983 SCHEMBL515768 1,3-Dimethyl-8-(3-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
Inchi Key	AVOQYDYGNRKHGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(6-7)18(21)22/h3-6H,1-2H3,(H,14,15)
PubChem CID	13525052
ChEMBL	CHEMBL11385
IUPHAR	N/A
BindingDB	50020983
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	50.0 nM	PMID2991519	BindingDB,ChEMBL

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