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GPCR

NameAdenosine receptor A1
SpeciesOryctolagus cuniculus (Rabbit)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length328
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPETYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKAVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLREVQRAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRRQLSKKASASSGDPHKYYGKELKIAKSLALILFLFALSWLPLHILNCVTLFCPSCQKPSILVYTAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCRPAPAGDGDEDLPEEKPND
UniProtP34970
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3947
IUPHARN/A
DrugBankN/A

Ligand

NameSMR000104521
Molecular formulaC12H16N6O4
IUPAC name5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight308.298
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.7
Synonyms78647-50-4
BRD-A35338386-001-04-6
HMS2187P21
NCGC00015405-02
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide
[ Show all ]
Inchi KeyJADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID2868392
ChEMBLCHEMBL277076
IUPHARN/A
BindingDB86761
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.0 nMPMID8996189PDSP

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