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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

NameCHEMBL274022
Molecular formulaC19H23N5O4
IUPAC name2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight385.424
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
Synonyms(R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
AC1L1JFU
HMS3371L16
S-PIA
2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
[ Show all ]
Inchi KeyRIRGCFBBHQEQQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PubChem CID5022
ChEMBLN/A
IUPHARN/A
BindingDB50006730
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID10779381, PMID11809867PDSP,BindingDB
Ki16.3 nMPMID9459566PDSP,BindingDB
Ki33.88 nMPMID8234299PDSP,BindingDB
Ki44.6 nMPMID9459566PDSP,BindingDB
Ki75.0 nMPMID10779381PDSP,BindingDB
Ki323.59 nMPMID8234299PDSP,BindingDB
Ki520.0 nMPMID10779381PDSP,BindingDB
Ki2300.0 nMPMID11809867PDSP,BindingDB
Ki2500.0 nMPMID10779381PDSP,BindingDB
Ki2600.0 nMPMID11809867PDSP,BindingDB

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