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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

Nameaz599
Molecular formulaC25H35N3O4S
IUPAC name[5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
Molecular weight473.632
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL3310279
CHEMBL1950351
ZINC43206729
BDBM50364920
KB-270804
[ Show all ]
Inchi KeyUCMNIYFDRVBMFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
PubChem CID24894028
ChEMBLCHEMBL1950351
IUPHARN/A
BindingDB50364920
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity>50.0 %PMID22284817ChEMBL

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