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GPCR

NameAdenosine receptor A3
SpeciesRattus norvegicus (Rat)
GeneAdora3
SynonymARA3
Adenosine receptor A3
A3 receptor
TGPCR1
A3AR
DiseaseN/A for non-human GPCRs
Length320
Amino acid sequenceMKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProtP28647
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3360
IUPHAR21
DrugBankN/A

Ligand

NameCHEMBL2113702
Molecular formulaC13H11ClIN5
IUPAC name2-chloro-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
Molecular weight399.62
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL448405
ATOXAERIKXFYQV-UHFFFAOYSA-N
BDBM50453672
2-Chloro-N6 -(3-Iodobenzyl)-9-Methyladenine
N-(3-Iodobenzyl)-2-chloro-9-methyl-9H-purin-6-amine
Inchi KeyATOXAERIKXFYQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
PubChem CID10340909
ChEMBLCHEMBL2113702
IUPHARN/A
BindingDB50453672
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki51000.0 nMPMID7752196BindingDB,ChEMBL

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