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GPCR

NameAdenosine receptor A3
SpeciesMus musculus (Mouse)
GeneAdora3
SynonymA3 receptor
A3AR
Adenosine receptor A3
ARA3
TGPCR1
DiseaseN/A for non-human GPCRs
Length319
Amino acid sequenceMEADNTTETDWLNITYITMEAAIGLCAVVGNMLVIWVVKLNPTLRTTTVYFIVSLALADIAVGVLVIPLAIAVSLQVKMHFYACLFMSCVLLIFTHASIMSLLAIAVHRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKATLASSQNSSTLLCHFRSVVSLDYMVFFSFITWILVPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFDVKIPDVAMCLGILLSHANSMMNPIVYACKIKKFKETYFLILRAVRLCQTSDSLDSNMEQTTE
UniProtQ61618
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075269
IUPHAR21
DrugBankN/A

Ligand

NameCHEMBL3407774
Molecular formulaC20H20N8O3
IUPAC name(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-(methylamino)-2-(2-pyrazin-2-ylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
Molecular weight420.433
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-1.1
SynonymsBDBM50069858
Inchi KeyHJBSZHIETZPEQW-NQWXTVAOSA-N
Inchi IDInChI=1S/C20H20N8O3/c1-21-17-13-18(27-12(26-17)4-3-10-8-23-5-6-24-10)28(9-25-13)14-11-7-20(11,19(31)22-2)16(30)15(14)29/h5-6,8-9,11,14-16,29-30H,7H2,1-2H3,(H,22,31)(H,21,26,27)/t11-,14-,15+,16+,20+/m1/s1
PubChem CID91799687
ChEMBLCHEMBL3407774
IUPHARN/A
BindingDB50069858
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.32 nMPMID25422861BindingDB
EC500.32 nMPMID25422861ChEMBL
Imax30.0 %PMID25422861ChEMBL
Ki68.0 nMPMID25422861BindingDB,ChEMBL

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