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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

NameCHEMBL382194
Molecular formulaC18H20IN7O4
IUPAC name[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-3-yl]urea
Molecular weight525.307
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP0.4
SynonymsMRS-3481
N6-(3-iodobenzyl)-9-(3-deoxy-3-ureido-B-D-ribofuranosyl)adenine
BDBM50185932
Inchi KeyABGDLYABGFCQLB-CTWCOEIASA-N
Inchi IDInChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
PubChem CID11584486
ChEMBLCHEMBL382194
IUPHARN/A
BindingDB50185932
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50180.0 nMPMID16640329BindingDB,ChEMBL
Inhibition9.0 %PMID16640329ChEMBL
Ki<10000.0 nMPMID16640329BindingDB,ChEMBL
Ki<100000.0 nMPMID16640329BindingDB,ChEMBL
Ki220.0 nMPMID16640329BindingDB,ChEMBL
Ki470.0 nMPMID16640329BindingDB,ChEMBL

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