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GPCR

NameAdenosine receptor A3
SpeciesOvis aries (Sheep)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length317
Amino acid sequenceMPVNSTAVSWTSVTYITVEILIGLCAIVGNVLVIWVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVISLGVTIHFYSCLFMTCLMLIFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWLVSFLVGLTPMFGWNMKLSSADENLTFLPCRFRSVMRMDYMVYFSFFLWILVPLVVMCAIYFDIFYIIRNRLSQSFSGSRETGAFYGREFKTAKSLLLVLFLFALCWLPLSIINCILYFDGQVPQTVLYLGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVMCQPSKSMDPSTEQTSE
UniProtP35342
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3309064
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL589549
Molecular formulaC13H17N5
IUPAC nameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Molecular weight243.314
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50308508
N-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine
N-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
N-0861
UNII-YCGMULHHH6 component MTQYIGCUBBMQCJ-AEJSXWLSSA-N
[ Show all ]
Inchi KeyMTQYIGCUBBMQCJ-AEJSXWLSSA-N
Inchi IDInChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m0/s1
PubChem CID6918211
ChEMBLCHEMBL589549
IUPHARN/A
BindingDB50308508
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki41.4 nMPMID20188574ChEMBL

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