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GPCR

NameC-X-C chemokine receptor type 3
SpeciesHomo sapiens (Human)
GeneCXCR3
SynonymMigR
IP-10 receptor
Interferon-inducible protein 10 receptor
GPR9
G protein-coupled receptor 9
[ Show all ]
DiseaseInflammatory disease
Autoimmune diabetes
Inflammatory disorder
Rheumatoid arthritis
Psoriatic disorder
Length368
Amino acid sequenceMVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
UniProtP49682
Protein Data BankN/A
GPCR-HGmod modelP49682
3D structure modelThis predicted structure model is from GPCR-EXP P49682.
BioLiPN/A
Therapeutic Target DatabaseT25315
ChEMBLCHEMBL4441
IUPHAR70
DrugBankN/A

Ligand

NameCHEMBL522551
Molecular formulaC23H24BrFN2O2
IUPAC name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)piperidine-2,6-dione
Molecular weight459.359
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50292645
(+/-)-1''-(4-bromobenzyl)-3-(4-fluorophenyl)-3,4''-bipiperidine-2,6-dione
Inchi KeyBUEUGBNZNPHBIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24BrFN2O2/c24-19-5-1-16(2-6-19)15-27-13-10-18(11-14-27)23(12-9-21(28)26-22(23)29)17-3-7-20(25)8-4-17/h1-8,18H,9-15H2,(H,26,28,29)
PubChem CID44581109
ChEMBLCHEMBL522551
IUPHARN/A
BindingDB50292645
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501260.0 nMPMID18922694BindingDB,ChEMBL

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