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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	CHEMBL2113702
Molecular formula	C13H11ClIN5
IUPAC name	2-chloro-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
Molecular weight	399.62
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	SCHEMBL448405 ATOXAERIKXFYQV-UHFFFAOYSA-N 2-Chloro-N6 -(3-Iodobenzyl)-9-Methyladenine BDBM50453672 N-(3-Iodobenzyl)-2-chloro-9-methyl-9H-purin-6-amine
Inchi Key	ATOXAERIKXFYQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
PubChem CID	10340909
ChEMBL	CHEMBL2113702
IUPHAR	N/A
BindingDB	50453672
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	450.0 nM	PMID7752196	BindingDB,ChEMBL

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