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GPCR

NameAdenosine receptor A3
SpeciesHomo sapiens (Human)
GeneADORA3
SynonymARA3
Adenosine receptor A3
A3AR
A3 receptor
TGPCR1
DiseaseCerebrovascular ischaemia
Malaria
Ischemia
Inflammation
Hepatocellular carcinoma; Hepatitis C virus infection
[ Show all ]
Length318
Amino acid sequenceMPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProtP0DMS8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT36059
ChEMBLCHEMBL256
IUPHAR21
DrugBankBE0000354

Ligand

NameCHEMBL2203622
Molecular formulaC18H22N2O2
IUPAC name(13Z)-21-methyl-8,17-dioxa-19,21-diazatricyclo[16.2.1.02,7]henicosa-1(20),2,4,6,13,18-hexaene
Molecular weight298.386
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50400797
Inchi KeyAGLKQNJMUAORON-HYXAFXHYSA-N
Inchi IDInChI=1S/C18H22N2O2/c1-20-16-14-19-18(20)22-13-9-5-3-2-4-8-12-21-17-11-7-6-10-15(16)17/h3,5-7,10-11,14H,2,4,8-9,12-13H2,1H3/b5-3-
PubChem CID71453989
ChEMBLCHEMBL2203622
IUPHARN/A
BindingDB50400797
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50850.0 nMPMID21381769BindingDB,ChEMBL

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