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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 A3
Species	Mus musculus (Mouse)
Gene	Adora3
Synonym	A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1
Disease	N/A for non-human GPCRs
Length	319
Amino acid sequence	MEADNTTETDWLNITYITMEAAIGLCAVVGNMLVIWVVKLNPTLRTTTVYFIVSLALADIAVGVLVIPLAIAVSLQVKMHFYACLFMSCVLLIFTHASIMSLLAIAVHRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKATLASSQNSSTLLCHFRSVVSLDYMVFFSFITWILVPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFDVKIPDVAMCLGILLSHANSMMNPIVYACKIKKFKETYFLILRAVRLCQTSDSLDSNMEQTTE
UniProt	Q61618
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	CHEMBL1075269
IUPHAR	21
DrugBank	N/A

Ligand

Name	CHEMBL3800048
Molecular formula	C22H21N5O3
IUPAC name	(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-methyl-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	403.442
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.1
Synonyms	BDBM50163874
Inchi Key	XKGTXFGCMPVVQJ-JWQSXIGZSA-N
Inchi ID	InChI=1S/C22H21N5O3/c1-12-16-20(26-15(25-12)9-8-13-6-4-3-5-7-13)27(11-24-16)17-14-10-22(14,21(30)23-2)19(29)18(17)28/h3-7,11,14,17-19,28-29H,10H2,1-2H3,(H,23,30)/t14-,17-,18+,19+,22+/m1/s1
PubChem CID	127047826
ChEMBL	CHEMBL3800048
IUPHAR	N/A
BindingDB	50163874
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	20.0 nM	PMID26890707	BindingDB
EC50	20.2 nM	PMID26890707	ChEMBL
Emax	32.0 %	PMID26890707	ChEMBL
Ki	158.0 nM	PMID26890707	BindingDB,ChEMBL

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