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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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL105100
Molecular formula	C13H18N4O2
IUPAC name	8-cyclopentyl-3-propyl-7H-purine-2,6-dione
Molecular weight	262.313
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50004577 CSJQHPSSYYSCPO-UHFFFAOYSA-N 8-Cyclopentyl-3-n-propylxanthine 3-Propyl-8-cyclopentylxanthine SCHEMBL8118476 8-Cyclopentyl-3-propyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	CSJQHPSSYYSCPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18N4O2/c1-2-7-17-11-9(12(18)16-13(17)19)14-10(15-11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,18,19)
PubChem CID	15667090
ChEMBL	CHEMBL105100
IUPHAR	N/A
BindingDB	50004577
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	1400.0 nM	PMID1501234	BindingDB,ChEMBL

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