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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	CHEMBL11146
Molecular formula	C14H12N4O4
IUPAC name	2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
Molecular weight	300.274
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid BDBM50020850 SCHEMBL516485 2-[(1,3-Dimethyl-2,6-dioxo-1,3,6,7-tetrahydro-2H-purine)-8-yl]benzoic acid
Inchi Key	BBISNWCHHLHHHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-5-3-4-6-8(7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
PubChem CID	13525063
ChEMBL	CHEMBL11146
IUPHAR	N/A
BindingDB	50020850
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	2500.0 nM	PMID2991519	BindingDB,ChEMBL

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