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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	BRN 0240672
Molecular formula	C8H10N4O3
IUPAC name	3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione
Molecular weight	210.193
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	-0.6
Synonyms	1H-Purine-2,6-dione,3,9-dihydro-3-(2-hydroxyethyl)-1-methyl- AC1L4JWX LS-162532 3-(2-hydroxyethyl)-1-methyl-3,9-dihydro-1h-purine-2,6-dione 31542-47-9 CTK4G7320 3-(2-Hydroxy-ethyl)-1-methyl-3,7-dihydro-purine-2,6-dione AC1Q6LGP Xanthine, 3-(2-hydroxyethyl)-1-methyl- 3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-hydroxyethyl)-1-methyl- DTXSID20185444 3-(2-hydroxyethyl)-1-methyl-3,7-dihydropurine-2,6-dione BDBM50025579 XXSKBKUNDLWMML-UHFFFAOYSA-N 3-(2-Hydroxyethyl)-1-methylxanthine CHEMBL26061 [ Show all ]
Inchi Key	XXSKBKUNDLWMML-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O3/c1-11-7(14)5-6(10-4-9-5)12(2-3-13)8(11)15/h4,13H,2-3H2,1H3,(H,9,10)
PubChem CID	208041
ChEMBL	CHEMBL26061
IUPHAR	N/A
BindingDB	50025579
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	60000.0 nM	PMID3806581	BindingDB,ChEMBL

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