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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	BW A533U
Molecular formula	C14H12N4O4
IUPAC name	4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
Molecular weight	300.274
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.7
Synonyms	CHEMBL11048 85872-58-8 PDSP2_000968 Benzoic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)- BW-A-533U DTXSID50235183 AC1L35UK SCHEMBL7110639 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid BW A-533U 8-(4-Carboxyphenyl)theophylline PDSP1_000984 BDBM50018159 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid [ Show all ]
Inchi Key	VOGIMZNURUXDIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
PubChem CID	135109
ChEMBL	CHEMBL11048
IUPHAR	N/A
BindingDB	50018159
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	610.0 nM	PMID3010074	BindingDB
Ki	3000.0 nM	PMID2984420, PMID2724296	BindingDB,ChEMBL

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