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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

NameCHEMBL490250
Molecular formulaC17H22ClN5O4
IUPAC name(2R,3R,4S,5R)-2-[6-(2-bicyclo[2.2.1]heptanylamino)-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight395.844
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50267578
2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofuranosyl)adenine
Inchi KeyAEOCPQUDPJKEQV-NNBIHLJJSA-N
Inchi IDInChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
PubChem CID44582726
ChEMBLCHEMBL490250
IUPHARN/A
BindingDB50267578
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki129.0 nMPMID19317449BindingDB,ChEMBL

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