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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	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	CHEMBL2113704
Molecular formula	C16H15IN6
IUPAC name	4-[6-[(3-iodophenyl)methylamino]purin-9-yl]butanenitrile
Molecular weight	418.242
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.7
Synonyms	APXSDGLADFOEDD-UHFFFAOYSA-N BDBM50453677 N6 -(3-Iodobenzyl)-9-(3-Cyanopropyl)adenine 6-[(3-Iodobenzyl)amino]-9H-purine-9-butanenitrile
Inchi Key	APXSDGLADFOEDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
PubChem CID	10024998
ChEMBL	CHEMBL2113704
IUPHAR	N/A
BindingDB	50453677
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	6030.0 nM	PMID7752196	BindingDB,ChEMBL

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