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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

NameCHEMBL2349338
Molecular formulaC17H21N5OS2
IUPAC name(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-3-methylbutan-1-ol
Molecular weight375.509
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50432443
MUMCBMXUGZFFMH-LBPRGKRZSA-N
(2R)-2-{[2-amino-5-(benzylthio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino}-3-methylbutan-1-ol
SCHEMBL5438228
Inchi KeyMUMCBMXUGZFFMH-LBPRGKRZSA-N
Inchi IDInChI=1S/C17H21N5OS2/c1-10(2)12(8-23)19-14-13-15(20-16(18)25-13)22-17(21-14)24-9-11-6-4-3-5-7-11/h3-7,10,12,23H,8-9H2,1-2H3,(H3,18,19,20,21,22)/t12-/m0/s1
PubChem CID71625144
ChEMBLCHEMBL2349338
IUPHARN/A
BindingDB50432443
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki640.0 nMPMID23516963BindingDB,ChEMBL

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