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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	BRN 1229021
Molecular formula	C17H20N4O2
IUPAC name	7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Molecular weight	312.373
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.5
Synonyms	CHEMBL26606 7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione Xanthine, 7-benzyl-3-isobutyl-1-methyl- 7-benzyl-3-isobutyl-1-methylxanthine DTXSID30207181 7-Benzyl-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione 1-Methyl-3-isobutyl-7-benzylxanthine AC1MIBV6 58481-23-5 LS-127034 7-Benzyl-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione(7-benzyl-IBMX) BDBM50014255 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)- [ Show all ]
Inchi Key	GNMXTSLAYORZNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O2/c1-12(2)9-21-15-14(16(22)19(3)17(21)23)20(11-18-15)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
PubChem CID	3041753
ChEMBL	CHEMBL26606
IUPHAR	N/A
BindingDB	50014255
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	6900.0 nM	PMID2213834	BindingDB,ChEMBL
Ki	9000.0 nM	PMID3806581	BindingDB,ChEMBL

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