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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

NameCHEMBL3922202
Molecular formulaC27H34N2O6
IUPAC name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-hydroxypropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Molecular weight482.577
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50200704
Inchi KeyBYLFTEJATWWSIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,18-19,30H,8-13,16-17H2,1-3H3
PubChem CID134140355
ChEMBLCHEMBL3922202
IUPHARN/A
BindingDB50200704
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5077.0 nMPMID27789137BindingDB,ChEMBL

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