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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	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	BRN 0587969
Molecular formula	C15H20N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	348.363
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.2
Synonyms	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide BDBM50389799 5'-Oxo-5'-(cyclopentylamino)-5'-deoxyadenosine CHEMBL2070508 AC1Q5N5C 1-(6-Amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxyribofuranuronamide LS-143752 (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-cyclopentyl-3,4-dihydroxytetrahydrofuran-2-carboxamide(non-preferred name) Adenosine-5'-(N-cyclopentyl)carboxamide 35920-40-2 AC1L4Z6B Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxy- [ Show all ]
Inchi Key	ISNMLOJARGEFLK-BQVMBELUSA-N
Inchi ID	InChI=1S/C15H20N6O4/c16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
PubChem CID	215610
ChEMBL	CHEMBL2070508
IUPHAR	N/A
BindingDB	50389799
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	32.0 nM	PMID10212124	ChEMBL
Ki	70.0 nM	PMID22486652	BindingDB,ChEMBL
Ki	70.79 nM	MedChemComm, (2016) 7:2:237	ChEMBL

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