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GPCR

NameAdenosine receptor A3
SpeciesCanis lupus familiaris (Dog)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length314
Amino acid sequenceMAVNGTALLLANVTYITVEILIGLCAIVGNVLVIWVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVISLGITIQFYNCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEHQRNVTFLSCQFSSVMRMDYMVYFSFFTWILIPLVVMCAIYLDIFYVIRNKLNQNFSSSKETGAFYGREFKTAKSLFLVLFLFAFSWLPLSIINCITYFHGEVPQIILYLGILLSHANSMMNPIVYAYKIKKFKETYLLIFKTYMICQSSDSLDSSTE
UniProtQ28309
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3611963
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3612932
Molecular formulaC22H23ClN6O3S
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(propylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight486.975
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50116882
Inchi KeyCPDWVNNYXONUCC-YWNJHDJRSA-N
Inchi IDInChI=1S/C22H23ClN6O3S/c1-3-8-25-19-15-20(28-14(27-19)7-5-11-4-6-13(23)33-11)29(10-26-15)16-12-9-22(12,21(32)24-2)18(31)17(16)30/h4,6,10,12,16-18,30-31H,3,8-9H2,1-2H3,(H,24,32)(H,25,27,28)/t12-,16-,17+,18+,22+/m1/s1
PubChem CID122188571
ChEMBLCHEMBL3612932
IUPHARN/A
BindingDB50116882
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.8 nMPMID26191370BindingDB,ChEMBL

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