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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-dimethylxanthine
Molecular formulaC12H16N4O2
IUPAC name8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight248.286
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.6
SynonymsNINDS_000824
1H-Purine-2,6-dione,8-cyclopentyl-3,9-dihydro-1,3-dimethyl-
SCHEMBL431907
8-cyclopentyl-1,3-dimethyl-9H-purine-2,6-dione
Spectrum5_001769
[ Show all ]
Inchi KeySCVHFRLUNIOSGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
PubChem CID1917
ChEMBLCHEMBL106265
IUPHAR385
BindingDB81925
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.46 nMPMID2258897BindingDB,ChEMBL
Ki6.3 nMPMID2067592BindingDB
Ki10.9 nMPMID3010074, PMID2754711BindingDB,ChEMBL
Ki11.0 nMPMID1738138, PMID2754711BindingDB,ChEMBL
Ki24.0 nMPMID2724296BindingDB,ChEMBL

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