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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	1,3-Diisobutylxanthine
Molecular formula	C13H20N4O2
IUPAC name	1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	264.329
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	D0T6XM 3,7-Dihydro-1,3-bis(2-methylpropyl)-1H-purine-2,6-dione Xanthine, 1,3-diisobutyl- AC1MIMT3 DTXSID70213605 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione BDBM50022731 CHEMBL26350 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)- LS-126573 63908-24-7 BRN 1143460 1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	IPUAJXHKDUKOCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
PubChem CID	3048504
ChEMBL	CHEMBL26350
IUPHAR	N/A
BindingDB	50022731
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	500.0 nM	PMID3806581, PMID3172141	BindingDB,ChEMBL
Ki	4000.0 nM	PMID8230124	BindingDB,ChEMBL

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