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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

NameCHEMBL3674590
Molecular formulaC23H29N5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(4-methylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight455.515
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.3
SynonymsUS8501708, 13
BDBM99193
SCHEMBL12192989
Inchi KeyCSHRVAUJORCBTO-UNYIAIFGSA-N
Inchi IDInChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
PubChem CID58455978
ChEMBLCHEMBL3674590
IUPHARN/A
BindingDB99193
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki820.0 nM, NoneBindingDB,ChEMBL

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