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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A1
Species	Homo sapiens (Human)
Gene	ADORA1
Synonym	RDC7 A1 receptor A1-AR A1R adenosine receptor A1
Disease	Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes Fatigue; Orthostatic hypotension Glaucoma Heart failure Autoimmune diabetes Atrial fibrillation; Cardiac arrhythmias Atrial fibrillation Sepsis Renal failure Parkinson's disease Neuropathic pain Acute and chronic heart failure Multiple scierosis Hypertriglyceridemia Allergy Asthma Hyperlipidaemia [ Show all ]
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProt	P30542
Protein Data Bank	6d9h, 5n2s
GPCR-HGmod model	P30542
3D structure model	This structure is from PDB ID 6d9h.
BioLiP	BL0385576, BL0417675
Therapeutic Target Database	T88714, T92072
ChEMBL	CHEMBL226
IUPHAR	18
DrugBank	BE0000013

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	GTPL380 MLS002153196 N6-Cyclopentyladenosine, solid SCHEMBL120481 3GU AKOS016009596 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 CHEMBL68738 Cyclopentyladenosine MLS000028368 PDSP1_001069 Adenosine, N-cyclopentyl- HMS2232M15 MolPort-023-276-193 N6-CyclopentylAdo SMR000058639 41552-82-3 BDBM25400 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 D03RFA MLS001077332 N6-cyclopentyladenosine (CPA) PDSP2_001053 AJ-47612 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 [ 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	51.0 %	PMID18258439	ChEMBL
Change in cAMP	-100.0 %	PMID15771447	ChEMBL
EC50	0.19 nM	Bioorg. Med. Chem. Lett., (1996) 6:7:811	ChEMBL
EC50	0.19 nM	N/A	BindingDB
EC50	4.15 nM	PMID10841798	ChEMBL
EC50	4.2 nM	PMID10841798	BindingDB
EC50	6.3 nM	PMID22738238	BindingDB,ChEMBL
IC50	2.7 nM	PMID18042389	BindingDB,ChEMBL
Inhibition	69.0 %	PMID11520205	ChEMBL
Inhibition	100.0 %	PMID22921089	ChEMBL
Intrinsic activity	1.0 -	PMID18042389	ChEMBL
Ki	0.398108 - 316.228 nM	PMID7798201, PMID9920910, PMID15476669, PMID16444290, PMID15740718, PMID9827575, PMID16518376	IUPHAR
Ki	0.45 nM	PMID16366590	BindingDB,ChEMBL
Ki	1.8 nM	PMID22921089	BindingDB,ChEMBL
Ki	2.25 nM	PMID17933541	BindingDB,ChEMBL
Ki	2.3 nM	, None	BindingDB,ChEMBL
Ki	5.9 nM	PMID26356532	BindingDB,ChEMBL
Ki	9.0 nM	PMID18783211	BindingDB
Ki	10.0 nM	PMID18258439, PMID18637670, PMID15771447	BindingDB,ChEMBL
Ki	21.5 nM	PMID18042389	BindingDB,ChEMBL
Max	100.0 %	PMID10841798	ChEMBL

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