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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

NameCHEMBL325664
Molecular formulaC19H23N5O
IUPAC name9-(oxan-2-yl)-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
Molecular weight337.427
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50021280
(1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-pyran-2-yl)-9H-purin-6-yl]-amine
Inchi KeyAELLXJKOLLIMNZ-IURRXHLWSA-N
Inchi IDInChI=1S/C19H23N5O/c1-14(11-15-7-3-2-4-8-15)23-18-17-19(21-12-20-18)24(13-22-17)16-9-5-6-10-25-16/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,20,21,23)/t14-,16?/m1/s1
PubChem CID44344722
ChEMBLCHEMBL325664
IUPHARN/A
BindingDB50021280
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1200.0 nMPMID3005574BindingDB,ChEMBL

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