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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	Rattus norvegicus (Rat)
Gene	Adora3
Synonym	A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1
Disease	N/A for non-human GPCRs
Length	320
Amino acid sequence	MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProt	P28647
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	CHEMBL3360
IUPHAR	21
DrugBank	N/A

Ligand

Name	CHEMBL2113696
Molecular formula	C18H19ClN6O2
IUPAC name	(2S,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight	386.84
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	BDBM50453655 N-Methyl-5alpha-(2-chloro-6-benzylamino-9H-purin-9-yl)tetrahydrofuran-2alpha-carboxamide
Inchi Key	FIIWZBDATTWLSY-QWHCGFSZSA-N
Inchi ID	InChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
PubChem CID	11545520
ChEMBL	CHEMBL2113696
IUPHAR	N/A
BindingDB	50453655
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Effect	0.0 -	PMID7752196	ChEMBL
Inhibition	7.5 %	PMID7752196	ChEMBL
Inhibition	10.8 %	PMID7752196	ChEMBL
Ki	30900.0 nM	PMID7752196	BindingDB,ChEMBL
Ratio	1.3 -	PMID7752196	ChEMBL

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