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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	N6-Cyclopentyladenosine
Molecular formula	C15H21N5O4
IUPAC name	(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	335.364
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.9
Synonyms	J-523544 N(6)-Cyclopentyladenosine NCGC00023909-04 SQMWSBKSHWARHU-SDBHATRESA-N 5720AB CTK1D5898 MFCD00036845 n6-cyclopentyl-adenosine Opera_ID_1056 ZINC3995996 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol AC1LCWG1 AKOS016009596 GTPL380 MLS002153196 N6-Cyclopentyladenosine, solid SCHEMBL120481 3GU CHEMBL68738 KB-206470 n-cyclopentyl-adenosine NCGC00023909-05 ST24026157 (2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 7LG47VG1ID Cyclopentyladenosine MLS000028368 PDSP1_001069 Adenosine, N-cyclopentyl- BDBM25400 HMS2232M15 MolPort-023-276-193 N6-CyclopentylAdo SMR000058639 41552-82-3 cid_657378 LS-15119 n-cyclopentyladenosine NCGC00023909-06 UNII-7LG47VG1ID (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol AC-27402 AJ-47612 D03RFA MLS001077332 N6-cyclopentyladenosine (CPA) PDSP2_001053 [ Show all ]
Inchi Key	SQMWSBKSHWARHU-SDBHATRESA-N
Inchi ID	InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PubChem CID	657378
ChEMBL	CHEMBL68738
IUPHAR	380
BindingDB	25400
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	72.0 %	PMID16366590	ChEMBL
EC50	242.0 nM	PMID12238926	BindingDB,ChEMBL
EC50	7980.0 nM	PMID10841798	BindingDB,ChEMBL
Efficacy	97.0 %	PMID12238926	ChEMBL
Ki	39.8107 - 100.0 nM	PMID8234299, PMID15476669, PMID9459566, PMID16518376	IUPHAR
Ki	43.0 nM	PMID9459566	BindingDB
Ki	72.0 nM	PMID23200243, PMID26390077, PMID12238926	BindingDB,ChEMBL
Ki	89.12 nM	PMID8234299	BindingDB
Ki	120.0 nM	PMID10212125, PMID10999489	BindingDB,ChEMBL
Ki	137.0 nM	PMID12238926	BindingDB,ChEMBL
Ki	142.0 nM	PMID12238926	BindingDB,ChEMBL
Ki	240.0 nM	PMID16366590	BindingDB,ChEMBL
Ki	280.0 nM	PMID18637670	BindingDB,ChEMBL
Ki	281.0 nM	PMID18258439, PMID15771447, PMID11520205	BindingDB,ChEMBL
Ki	615.0 nM	PMID12238926	BindingDB,ChEMBL
Ki	1490.0 nM	PMID23200243	ChEMBL
Ki	3250.0 nM	PMID20188574	BindingDB,ChEMBL
Ki	18600.0 nM	PMID17933541	BindingDB,ChEMBL
Max	100.0 %	PMID10841798	ChEMBL

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