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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	AC1NU9TY
Molecular formula	C13H12N4O3
IUPAC name	8-(4-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	272.264
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	CHEMBL27047 PDSP2_001119 8-(4-hydroxyphenyl)theophylline MolPort-000-765-299 ZINC529763 BDBM82012 PDSP1_001135 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate DTXSID30419969 SCHEMBL10723936 NPC-189 AKOS005708359 PDSP2_000310 8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione MCULE-6860161624 STL055379 85872-69-1 AKOS015969762 PDSP1_000312 1,3-dimethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione [ Show all ]
Inchi Key	YGBHMJNRSBKDLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
PubChem CID	935972
ChEMBL	CHEMBL27047
IUPHAR	N/A
BindingDB	82012
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	36.0 nM	PMID2997628	BindingDB
Ki	50.0 nM	PMID2984420, PMID2993622	BindingDB,ChEMBL

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