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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	CHEMBL76482
Molecular formula	C19H22N4O5
IUPAC name	3-propyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Molecular weight	386.408
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	ALBSDLFXZHITIK-VOTSOKGWSA-N 3-Propyl-8-[(E)-3,4,5-trimethoxystyryl]xanthine BDBM50006699 SCHEMBL8371488 3-Propyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione 3-Propyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]xanthine [ Show all ]
Inchi Key	ALBSDLFXZHITIK-VOTSOKGWSA-N
Inchi ID	InChI=1S/C19H22N4O5/c1-5-8-23-17-15(18(24)22-19(23)25)20-14(21-17)7-6-11-9-12(26-2)16(28-4)13(10-11)27-3/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24,25)/b7-6+
PubChem CID	15170864
ChEMBL	CHEMBL76482
IUPHAR	N/A
BindingDB	N/A
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	820.0 nM	PMID1613758	ChEMBL

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