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GPCR

NameAdenosine receptor A3
SpeciesHomo sapiens (Human)
GeneADORA3
SynonymARA3
Adenosine receptor A3
A3AR
A3 receptor
TGPCR1
DiseaseCerebrovascular ischaemia
Malaria
Ischemia
Inflammation
Hepatocellular carcinoma; Hepatitis C virus infection
[ Show all ]
Length318
Amino acid sequenceMPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProtP0DMS8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT36059
ChEMBLCHEMBL256
IUPHAR21
DrugBankBE0000354

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
Synonyms(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
AC1LCWG1
CTK1D5898
MFCD00036845
n6-cyclopentyl-adenosine
[ 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
Activity72.0 %PMID16366590ChEMBL
EC50242.0 nMPMID12238926BindingDB,ChEMBL
EC507980.0 nMPMID10841798BindingDB,ChEMBL
Efficacy97.0 %PMID12238926ChEMBL
Ki39.8107 - 100.0 nMPMID8234299, PMID15476669, PMID9459566, PMID16518376IUPHAR
Ki43.0 nMPMID9459566BindingDB
Ki72.0 nMPMID23200243, PMID26390077, PMID12238926BindingDB,ChEMBL
Ki89.12 nMPMID8234299BindingDB
Ki120.0 nMPMID10212125, PMID10999489BindingDB,ChEMBL
Ki137.0 nMPMID12238926BindingDB,ChEMBL
Ki142.0 nMPMID12238926BindingDB,ChEMBL
Ki240.0 nMPMID16366590BindingDB,ChEMBL
Ki280.0 nMPMID18637670BindingDB,ChEMBL
Ki281.0 nMPMID18258439, PMID15771447, PMID11520205BindingDB,ChEMBL
Ki615.0 nMPMID12238926BindingDB,ChEMBL
Ki1490.0 nMPMID23200243ChEMBL
Ki3250.0 nMPMID20188574BindingDB,ChEMBL
Ki18600.0 nMPMID17933541BindingDB,ChEMBL
Max100.0 %PMID10841798ChEMBL

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