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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

Name8-Cyclopentyl-1,3-dipropylxanthine
Molecular formulaC16H24N4O2
IUPAC name8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight304.394
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.0
SynonymsDPCPX, 1,3-Dipropyl-8-cyclopentylxanthine
UNII-9PTP4FOI9E
GTPL386
KB-53263
KS-0000186U
[ Show all ]
Inchi KeyFFBDFADSZUINTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PubChem CID1329
ChEMBLCHEMBL183
IUPHAR386
BindingDB21173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity86.0 %PMID12398547ChEMBL
IC504.7 nM, PMID10450966, Bioorg. Med. Chem. Lett., (1996) 6:17:2059BindingDB,ChEMBL
IC506.0 nMPMID12398547BindingDB,ChEMBL
Kb0.23 nMPMID1548682ChEMBL
Kb0.9 nMPMID3346878ChEMBL
Kd5.754 nMPMID9871584ChEMBL
Ki0.18 nMPMID2067592BindingDB
Ki0.18 - 1.0 nMPMID16902942, PMID12014951, PMID2067592IUPHAR
Ki0.211 nMPMID26392370ChEMBL
Ki0.211 nMPMID26392370BindingDB
Ki0.229 nMPMID26392370BindingDB
Ki0.229 nMPMID26392370ChEMBL
Ki0.23 nMPMID2016719, PMID1613758BindingDB,ChEMBL
Ki0.23 nMPMID1613758BindingDB
Ki0.2818 nMPMID10072675ChEMBL
Ki0.3 nMPMID26392370, PMID2825043BindingDB,ChEMBL
Ki0.3 nMPMID26392370BindingDB
Ki0.45 nMPMID2825043BindingDB
Ki0.46 nMPMID1501234BindingDB
Ki0.46 nMPMID1738138, PMID1613758, PMID8355252, PMID7932565, PMID1501234, PMID1548682BindingDB,ChEMBL
Ki0.477 nMPMID26392370BindingDB
Ki0.477 nMPMID26392370ChEMBL
Ki0.49 nMPMID1501234BindingDB,ChEMBL
Ki0.5 nMPMID17602796, PMID20116907BindingDB,ChEMBL
Ki0.553 nMPMID26392370BindingDB
Ki0.553 nMPMID26392370ChEMBL
Ki0.56 nMPMID26392370ChEMBL
Ki0.56 nMPMID26392370BindingDB
Ki0.6 nMPMID2724296BindingDB
Ki0.6 nMPMID2724296ChEMBL
Ki0.6166 nMPMID1542091ChEMBL
Ki0.62 nMPMID1542091BindingDB
Ki0.77 nMPMID11960496BindingDB,ChEMBL
Ki0.9 nMPMID15771453, PMID1613758, PMID1501234, PMID2724296, PMID11906291, PMID2754711, PMID20188574BindingDB,ChEMBL
Ki0.9 nMPMID2754711BindingDB
Ki0.9 nMPMID1501234, PMID1613758, PMID20188574BindingDB
Ki1.0 nMPMID12014951BindingDB,ChEMBL
Ki1.2 nMPMID11960496BindingDB,ChEMBL
Ki1.46 nMPMID11960496BindingDB,ChEMBL
Ki1.5 nMPMID8676354BindingDB,ChEMBL
Ki3.77 nMPMID9191953BindingDB,ChEMBL
Ki340.0 nMPMID2825043BindingDB
Ratio Ki0.86 -PMID26392370ChEMBL
Ratio Ki0.92 -PMID26392370ChEMBL
Ratio Ki1.0 -PMID26392370ChEMBL

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