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GPCR

NameAdenosine receptor A3
SpeciesOryctolagus cuniculus (Rabbit)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length319
Amino acid sequenceMPDNSTTLFLAIRASYIVFEIVIGVCAVVGNVLVIWVIKLNPSLKTTTFYFIFSLALADIAVGFLVMPLAIVISLGITIGFYSCLVMSCLLLVFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWVVSLLVGFTPMFGWNMKPTLESARNYSDFQCKFDSVIPMEYMVFFSFFTWILIPLLLMCALYVYIFYIIRNKLVQSFSSFKETGAFYRREFKTAKSLFLVLALFAGCWLPLSIINCVTYFKCKVPDVVLLVGILLSHANSMMNPIVYACKIQKFKETYLLIFKARVTCQPSDSLDPSSEQNSE
UniProtO02667
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2603
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3679380
Molecular formulaC22H26IN5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(3-iodophenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight567.384
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.6
SynonymsSCHEMBL12193008
US8501708, 21
BDBM99201
Inchi KeyHZBFCOYWEGAJGZ-XCUHZOMWSA-N
Inchi IDInChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID58455971
ChEMBLCHEMBL3679380
IUPHARN/A
BindingDB99201
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1290.0 nM, NoneBindingDB,ChEMBL

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