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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

Nametheophylline
Molecular formulaC7H8N4O2
IUPAC name1,3-dimethyl-7H-purine-2,6-dione
Molecular weight180.167
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.0
SynonymsNCGC00018117-06
Uniphyllin continus
Duraphyl
NCGC00018117-14
Xanthine,3-dimethyl-
[ Show all ]
Inchi KeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PubChem CID2153
ChEMBLCHEMBL190
IUPHAR413
BindingDB82053, 10847
DrugBankDB00277

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID19569717, PMID10496952, PMID20188574, PMID9459566PDSP,BindingDB
Ki14.0 nMPMID15664822BindingDB,ChEMBL
Ki22300.0 nMPMID16759111, PMID23200243, PMID20188574, PMID24139167BindingDB,ChEMBL
Ki22300.0 - 86400.0 nMPMID9459566IUPHAR
Ki29400.0 nMPMID23200243ChEMBL
Ki52300.0 nMPMID19569717BindingDB,ChEMBL
Ki85100.0 nMPMID20202853BindingDB,ChEMBL
Ki86000.0 nMPMID19301821, PMID17665891, PMID15214785, PMID18468446, PMID16789747, PMID10956220, PMID10737748, PMID16335918BindingDB,ChEMBL

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