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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 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	SMR000104521
Molecular formula	C12H16N6O4
IUPAC name	5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	308.298
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	CHEMBL277076 MCULE-6160962792 AKOS000656214 HMS1375A16 MolPort-001-935-391 ZINC00053379 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide BDBM86761 CHEBI:91647 HMS3371J21 REGID_for_CID_2868392 A2191/0092134 ChemDiv2_002128 MLS000108567 ST092443 BAS 00485788 HMS2187P21 NCGC00015405-02 [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide 78647-50-4 BRD-A35338386-001-04-6 L000437 SCHEMBL19928417 AC1MF9Y7 CTK8F6931 MLS001077284 STK762128 5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) BCP08034 CAS_35920-39-9 HMS3268O07 NSC_448222 [ Show all ]
Inchi Key	JADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID	2868392
ChEMBL	CHEMBL277076
IUPHAR	N/A
BindingDB	86761
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	<10000.0 nM	PMID18262425	PDSP
Ki	6.2 nM	PMID10494877	PDSP
Ki	20.0 nM	PMID17350268, PMID19481943	PDSP,BindingDB
Ki	25.7 nM	PMID8234299	PDSP
Ki	35.0 nM	PMID10779381	PDSP
Ki	73.0 nM	PMID27282729	BindingDB
Ki	1600.0 nM	PMID11809867	PDSP
Ki	1620.0 nM	PMID10779381	PDSP
Ki	1800.0 nM	PMID11809867	PDSP

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