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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameN6-Cyclopentyladenosine
Molecular formulaC15H21N5O4
IUPAC name(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight335.364
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.9
SynonymsNCGC00023909-05
ST24026157
(2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
7LG47VG1ID
CHEMBL68738
[ Show all ]
Inchi KeySQMWSBKSHWARHU-SDBHATRESA-N
Inchi IDInChI=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 CID657378
ChEMBLCHEMBL68738
IUPHAR380
BindingDB25400
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity86.18 %PMID17689079ChEMBL
Activity100.0 %PMID9438026ChEMBL
Activity100.0 -PMID11520205ChEMBL
Activity193.0 %PMID12398547ChEMBL
EC253.0 nMPMID3336027ChEMBL
EC5013.3 nMPMID10649980BindingDB,ChEMBL
EC5014.0 nMPMID9438026BindingDB
EC5014.3 nMPMID9438026ChEMBL
EC5016.9 nMPMID12398547BindingDB,ChEMBL
EC5020.0 nMPMID10841798BindingDB
EC5020.3 nMPMID10841798ChEMBL
GTP shift6.0 -PMID8691477ChEMBL
IC500.32 nMPMID1542091BindingDB
IC500.3236 nMPMID1542091ChEMBL
IC500.35 nMPMID3351850BindingDB,ChEMBL
IC501.0 nMPMID1875349BindingDB,ChEMBL
IC507.09 nMPMID20188574ChEMBL
IC507.1 nMPMID20188574BindingDB
IC5058.0 nMPMID3373486BindingDB,ChEMBL
IC50154.0 nMPMID20188574BindingDB,ChEMBL
IC50640.0 nMPMID2374150BindingDB,ChEMBL
IC50720.0 nMPMID3351850BindingDB,ChEMBL
IC5011000.0 nMPMID3351851BindingDB,ChEMBL
IC5014000.0 nMPMID3351851BindingDB,ChEMBL
Inhibition0.99 %PMID3373486ChEMBL
Ki0.3 nMPMID11881988BindingDB,ChEMBL
Ki0.32 nMPMID1554381, PMID2258897BindingDB,ChEMBL
Ki0.45 nMPMID1766003BindingDB,ChEMBL
Ki0.589 nMPMID2374150ChEMBL
Ki0.59 nMPMID3336027, PMID1738138, PMID2909748, PMID2995663, PMID3385722, PMID7932588, PMID1548682, PMID1433217, PMID2754691, PMID2374150BindingDB,ChEMBL
Ki0.59 nMPMID3336027, PMID3385722, PMID2995663BindingDB
Ki0.6 nMBioorg. Med. Chem. Lett., (1991) 1:9:481ChEMBL
Ki0.6 nMN/ABindingDB
Ki0.76 nMPMID1495019BindingDB
Ki0.8 nMPMID20188574, PMID1619615, PMID3373486BindingDB
Ki0.8 nMPMID20188574, PMID3216901, PMID1619615, PMID3373486BindingDB,ChEMBL
Ki0.8 nMPMID1619615BindingDB
Ki1.2 nM, PMID1732541, PMID10479279, Bioorg. Med. Chem. Lett., (1993) 3:12:2661BindingDB,ChEMBL
Ki1.21 nMPMID1732541ChEMBL
Ki1.5 nMPMID10841798BindingDB,ChEMBL
Ki4.4 nMPMID26392370BindingDB
Ki4.43 nMPMID26392370ChEMBL
Ki5.07 nMPMID10649980BindingDB,ChEMBL
Ki5.9 nMPMID7562934, PMID10212125, PMID26392370, PMID9438026, PMID8691477, PMID10999489BindingDB,ChEMBL
Ki7.14 nMPMID11520205BindingDB,ChEMBL
Ki7.9 nMPMID26392370BindingDB,ChEMBL
Ki8.48 nMPMID26776359ChEMBL
Ki8.5 nMPMID26776359BindingDB
Ki10.4 nMPMID26462195ChEMBL
Ki15.0 nMPMID26392370BindingDB
Ki15.3 nMPMID26392370ChEMBL
Ki35.0 nMPMID26392370, PMID9438026, PMID7562934, PMID8691477BindingDB,ChEMBL
Ki35.2 nMPMID26392370, PMID9438026, PMID7562934ChEMBL
Ki63.0 nMPMID26392370BindingDB
Ki63.08 nMPMID26392370ChEMBL
Ki99.0 nMPMID26392370BindingDB
Ki99.21 nMPMID26392370ChEMBL
Ki130.0 nMPMID1619615BindingDB,ChEMBL
Ki230.0 nMPMID11277527BindingDB,ChEMBL
Ki462.0 nMPMID2374150BindingDB,ChEMBL
Max100.0 %PMID10841798ChEMBL
Ratio IC5021.9 -PMID20188574ChEMBL
Ratio Ki6.0 -PMID26392370ChEMBL
Ratio Ki6.48 -PMID26392370ChEMBL
Ratio Ki14.24 -PMID26392370ChEMBL
RIA101.6 %PMID10649980ChEMBL

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