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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	CHEMBL603373
Molecular formula	C22H31N5O6
IUPAC name	3-[6-amino-9-[(3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]oxy-1-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)propan-1-one
Molecular weight	461.519
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	1.6
Synonyms	BDBM50368253
Inchi Key	FTDMBMYJUDDWSO-SQMXWIIPSA-N
Inchi ID	InChI=1S/C22H31N5O6/c1-22(2)10-3-4-11(12(22)7-10)13(29)5-6-32-21-25-18(23)15-19(26-21)27(9-24-15)20-17(31)16(30)14(8-28)33-20/h9-12,14,16-17,20,28,30-31H,3-8H2,1-2H3,(H2,23,25,26)/t10?,11?,12?,14-,16-,17-,20?/m0/s1
PubChem CID	46874411
ChEMBL	CHEMBL603373
IUPHAR	N/A
BindingDB	50368253
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4466.84 nM	PMID2016707	ChEMBL
EC50	4467.0 nM	PMID2016707	BindingDB

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