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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

NameCHEMBL3955519
Molecular formulaC21H26ClN5O4
IUPAC nameethyl (1S,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopropylmethylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate
Molecular weight447.92
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50199462
Inchi KeyIRHYVDDJDDMRKD-QNEDUEMWSA-N
Inchi IDInChI=1S/C21H26ClN5O4/c1-2-31-19(30)21-7-11(21)14(15(28)16(21)29)27-8-23-13-17(25-20(22)26-18(13)27)24-12(9-3-4-9)10-5-6-10/h8-12,14-16,28-29H,2-7H2,1H3,(H,24,25,26)/t11-,14-,15+,16+,21+/m1/s1
PubChem CID134143752
ChEMBLCHEMBL3955519
IUPHARN/A
BindingDB50199462
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Imax26.3 %PMID27933810ChEMBL

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