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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

Name1,3-Diethyl-8-phenylxanthine
Molecular formulaC15H16N4O2
IUPAC name1,3-diethyl-8-phenyl-7H-purine-2,6-dione
Molecular weight284.319
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms1,3-Dithyl-8-phenylxanthine
AC1L1B8H
GTPL445
PDSP1_000323
SR-01000075182-1
[ Show all ]
Inchi KeyLVSWNSHUTPWCNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
PubChem CID1328
ChEMBLCHEMBL11348
IUPHAR445
BindingDB81971
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5032.0 nMPMID3351850BindingDB,ChEMBL
IC5048.0 nMPMID3351850BindingDB,ChEMBL
IC502.29087e+11 nMPMID2991519ChEMBL
Ki44.0 nMPMID2795597BindingDB,ChEMBL
Ki44.5 nMPMID3010074, PMID2754711BindingDB,ChEMBL
Ki45.0 nMPMID2754711BindingDB
Ki61.0 nMPMID2997628BindingDB
Ki65.0 nMPMID3806597BindingDB,ChEMBL
Ki70.0 nMPMID2825043BindingDB
Ki170.0 nMPMID2825043BindingDB
Ki550.0 nMPMID2825043BindingDB

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