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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

NameCHEMBL2113493
Molecular formulaC10H12N6O6
IUPAC name(2R,3R,4S,5R)-2-(6-amino-2-nitropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight312.242
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP-0.9
SynonymsSCHEMBL3749410
BDBM50451108
2-nitroadenosine
CTK0J3121
Adenosine, 2-nitro-
[ Show all ]
Inchi KeyASIGGJDFOYBQNX-UUOKFMHZSA-N
Inchi IDInChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
PubChem CID10859911
ChEMBLCHEMBL2113493
IUPHARN/A
BindingDB50451108
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki202.0 nMPMID10999489BindingDB,ChEMBL

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