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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

NameCHEMBL402607
Molecular formulaC14H17ClN6O4
IUPAC name(1S,2R,3S,4R,5S)-4-[2-chloro-6-(methoxyamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight368.778
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.1
SynonymsBDBM50377683
Inchi KeyIDFINWOKYJJUJZ-RGUAOFKASA-N
Inchi IDInChI=1S/C14H17ClN6O4/c1-16-12(24)14-3-5(14)7(8(22)9(14)23)21-4-17-6-10(20-25-2)18-13(15)19-11(6)21/h4-5,7-9,22-23H,3H2,1-2H3,(H,16,24)(H,18,19,20)/t5-,7-,8+,9+,14+/m1/s1
PubChem CID44448978
ChEMBLCHEMBL402607
IUPHARN/A
BindingDB50377683
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki149.0 nMPMID18424135BindingDB,ChEMBL

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