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GPCR

NameCX3C chemokine receptor 1
SpeciesHomo sapiens (Human)
GeneCX3CR1
SynonymBeta chemokine receptor-like 1
Rbs11
GPR13
G-protein coupled receptor 13
Fractalkine receptor
[ Show all ]
DiseaseN/A
Length355
Amino acid sequenceMDQFPESVTENFEYDDLAEACYIGDIVVFGTVFLSIFYSVIFAIGLVGNLLVVFALTNSKKPKSVTDIYLLNLALSDLLFVATLPFWTHYLINEKGLHNAMCKFTTAFFFIGFFGSIFFITVISIDRYLAIVLAANSMNNRTVQHGVTISLGVWAAAILVAAPQFMFTKQKENECLGDYPEVLQEIWPVLRNVETNFLGFLLPLLIMSYCYFRIIQTLFSCKNHKKAKAIKLILLVVIVFFLFWTPYNVMIFLETLKLYDFFPSCDMRKDLRLALSVTETVAFSHCCLNPLIYAFAGEKFRRYLYHLYGKCLAVLCGRSVHVDFSSSESQRSRHGSVLSSNFTYHTSDGDALLLL
UniProtP49238
Protein Data BankN/A
GPCR-HGmod modelP49238
3D structure modelThis predicted structure model is from GPCR-EXP P49238.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4843
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2349179
Molecular formulaC18H23ClN6OS2
IUPAC name(2R)-2-[[2-amino-5-[(1S)-1-(4-chloropyridin-2-yl)ethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight438.993
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.4
SynonymsBDBM50432467
Inchi KeyIODWPMZCKDAIJU-CMPLNLGQSA-N
Inchi IDInChI=1S/C18H23ClN6OS2/c1-9(2)6-12(8-26)22-15-14-16(23-17(20)28-14)25-18(24-15)27-10(3)13-7-11(19)4-5-21-13/h4-5,7,9-10,12,26H,6,8H2,1-3H3,(H3,20,22,23,24,25)/t10-,12+/m0/s1
PubChem CID71716556
ChEMBLCHEMBL2349179
IUPHARN/A
BindingDB50432467
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.2 nMPMID23516963BindingDB,ChEMBL

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