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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

NameCHEMBL497396
Molecular formulaC26H31BrN2O3
IUPAC name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-phenylpiperidine-2,6-dione
Molecular weight499.449
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50292663
(+/-)-1''-(4-bromobenzyl)-1-(2-methoxyethyl)-3-phenyl-3,4''-bipiperidine-2,6-dione
Inchi KeyBIKSUAIHZAPQMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31BrN2O3/c1-32-18-17-29-24(30)11-14-26(25(29)31,21-5-3-2-4-6-21)22-12-15-28(16-13-22)19-20-7-9-23(27)10-8-20/h2-10,22H,11-19H2,1H3
PubChem CID44580860
ChEMBLCHEMBL497396
IUPHARN/A
BindingDB50292663
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502000.0 nMPMID18922694BindingDB,ChEMBL

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