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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	Oryctolagus cuniculus (Rabbit)
Gene	ADORA3
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	319
Amino acid sequence	MPDNSTTLFLAIRASYIVFEIVIGVCAVVGNVLVIWVIKLNPSLKTTTFYFIFSLALADIAVGFLVMPLAIVISLGITIGFYSCLVMSCLLLVFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWVVSLLVGFTPMFGWNMKPTLESARNYSDFQCKFDSVIPMEYMVFFSFFTWILIPLLLMCALYVYIFYIIRNKLVQSFSSFKETGAFYRREFKTAKSLFLVLALFAGCWLPLSIINCVTYFKCKVPDVVLLVGILLSHANSMMNPIVYACKIQKFKETYLLIFKARVTCQPSDSLDPSSEQNSE
UniProt	O02667
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	CHEMBL2603
IUPHAR	N/A
DrugBank	N/A

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	A2191/0092134 CHEBI:91647 HMS3371J21 REGID_for_CID_2868392 BAS 00485788 ChemDiv2_002128 MLS000108567 ST092443 78647-50-4 BRD-A35338386-001-04-6 HMS2187P21 NCGC00015405-02 [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide AC1MF9Y7 L000437 SCHEMBL19928417 5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) BCP08034 CTK8F6931 MLS001077284 STK762128 CAS_35920-39-9 HMS3268O07 NSC_448222 AKOS000656214 CHEMBL277076 MCULE-6160962792 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide BDBM86761 HMS1375A16 MolPort-001-935-391 ZINC00053379 [ 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	27.0 nM	PMID8996189	PDSP

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