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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

NameCHEMBL2089340
Molecular formulaC21H20ClN5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-(ethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight409.874
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50420422
Inchi KeyLJBWDPHNRHYITG-KFNRRLBXSA-N
Inchi IDInChI=1S/C21H20ClN5O2/c1-2-23-20-16-21(26-15(25-20)8-7-11-5-3-4-6-14(11)22)27(10-24-16)17-12-9-13(12)18(28)19(17)29/h3-6,10,12-13,17-19,28-29H,2,9H2,1H3,(H,23,25,26)/t12-,13+,17+,18+,19-/m0/s1
PubChem CID70689194
ChEMBLCHEMBL2089340
IUPHARN/A
BindingDB50420422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition50.0 %PMID23789857ChEMBL

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