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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

NameCHEMBL208530
Molecular formulaC12H17N7O4
IUPAC name[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-yl]urea
Molecular weight323.313
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-1.0
SynonymsN/A
Inchi KeyAIQSHRQSCKWHCF-HUKYDQBMSA-N
Inchi IDInChI=1S/C12H17N7O4/c1-14-9-7-10(16-3-15-9)19(4-17-7)11-8(21)6(18-12(13)22)5(2-20)23-11/h3-6,8,11,20-21H,2H2,1H3,(H3,13,18,22)(H,14,15,16)/t5-,6-,8-,11-/m1/s1
PubChem CID11645488
ChEMBLCHEMBL208530
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition3.0 %PMID16640329ChEMBL
Inhibition30.0 %PMID16640329ChEMBL

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