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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

NameCHEMBL3612939
Molecular formulaC21H20ClN5O3S
IUPAC name(1S,2R,3S,4R,5S)-4-[5-[2-(5-chlorothiophen-2-yl)ethynyl]-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight457.933
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM50116879
Inchi KeyDVEWTVCBLKZYMV-NEWQXWLQSA-N
Inchi IDInChI=1S/C21H20ClN5O3S/c1-23-13-7-10(3-4-11-5-6-14(22)31-11)26-19-15(13)25-9-27(19)16-12-8-21(12,20(30)24-2)18(29)17(16)28/h5-7,9,12,16-18,28-29H,8H2,1-2H3,(H,23,26)(H,24,30)/t12-,16-,17+,18+,21+/m1/s1
PubChem CID122188578
ChEMBLCHEMBL3612939
IUPHARN/A
BindingDB50116879
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki75.0 nMPMID26191370BindingDB,ChEMBL

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