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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.
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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	CHEMBL561976
Molecular formula	C16H15BrClN5O3
IUPAC name	(2R,3R,4R)-2-[6-[(3-bromophenyl)methylamino]-2-chloropurin-9-yl]oxolane-3,4-diol
Molecular weight	440.682
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BDBM50294668 SCHEMBL3325028 (2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol (2r,3r,4r)-2-(2-chloro-6-(3-bromobenzylamino)-9h-purin-9-yl)-tetrahydrofuran-3,4-diol
Inchi Key	BMUNWGDQGOJGOE-IXPVHAAZSA-N
Inchi ID	InChI=1S/C16H15BrClN5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1
PubChem CID	25003341
ChEMBL	CHEMBL561976
IUPHAR	N/A
BindingDB	50294668
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	82.8 nM	PMID19375920	BindingDB,ChEMBL

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