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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

NameCHEMBL3938584
Molecular formulaC26H32N2O5
IUPAC name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)butylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Molecular weight452.551
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50200675
Inchi KeyBCLUULCRAJKGPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O5/c1-3-4-21(19-6-8-22-20(16-19)11-13-32-22)27-17-18-5-7-23(24(15-18)31-2)33-14-12-28-25(29)9-10-26(28)30/h5-8,15-16,21,27H,3-4,9-14,17H2,1-2H3
PubChem CID134148525
ChEMBLCHEMBL3938584
IUPHARN/A
BindingDB50200675
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501200.0 nMPMID27789137BindingDB,ChEMBL

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