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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

NameCHEMBL10309
Molecular formulaC23H25BrN2O2
IUPAC name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
Molecular weight441.369
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50018553
(+)-1''-(4-bromobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione
SCHEMBL13962970
1''-(4-Bromo-benzyl)-3-phenyl-[3,4'']bipiperidinyl-2,6-dione
(+/-)-1''-(4-bromobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione
[ Show all ]
Inchi KeyKIBLABCMQPRMIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
PubChem CID14479864
ChEMBLCHEMBL10309
IUPHARN/A
BindingDB50018553
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>25.0 %PMID18922694ChEMBL

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