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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

NameCHEMBL3799738
Molecular formulaC19H16ClN5O3S
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight429.879
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.3
SynonymsBDBM50163878
Inchi KeyQJNZCWJOFSQYDZ-PSWYODQGSA-N
Inchi IDInChI=1S/C19H16ClN5O3S/c1-21-18(28)19-6-10(19)14(15(26)16(19)27)25-8-23-11-7-22-13(24-17(11)25)5-3-9-2-4-12(20)29-9/h2,4,7-8,10,14-16,26-27H,6H2,1H3,(H,21,28)/t10-,14-,15+,16+,19+/m1/s1
PubChem CID127047719
ChEMBLCHEMBL3799738
IUPHARN/A
BindingDB50163878
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki396.0 nMPMID26890707BindingDB,ChEMBL

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