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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

NameCHEMBL2349308
Molecular formulaC17H22N6OS2
IUPAC name(2R)-2-[[2-amino-5-(pyridin-3-ylmethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight390.524
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50432425
Inchi KeyOZOOZAKVEHZRJN-GFCCVEGCSA-N
Inchi IDInChI=1S/C17H22N6OS2/c1-10(2)6-12(8-24)20-14-13-15(21-16(18)26-13)23-17(22-14)25-9-11-4-3-5-19-7-11/h3-5,7,10,12,24H,6,8-9H2,1-2H3,(H3,18,20,21,22,23)/t12-/m1/s1
PubChem CID71625501
ChEMBLCHEMBL2349308
IUPHARN/A
BindingDB50432425
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki670.0 nMPMID23516963BindingDB,ChEMBL

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