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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

NameCHEMBL3900040
Molecular formulaC36H40N2O7
IUPAC name4-[[[cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
Molecular weight612.723
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50200707
Inchi KeyBCCPZEORNLYAAK-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N2O7/c1-43-32-20-25(8-12-31(32)45-19-17-38-33(39)14-15-34(38)40)23-37(22-24-6-9-27(10-7-24)36(41)42)35(26-4-2-3-5-26)29-11-13-30-28(21-29)16-18-44-30/h6-13,20-21,26,35H,2-5,14-19,22-23H2,1H3,(H,41,42)
PubChem CID134134604
ChEMBLCHEMBL3900040
IUPHARN/A
BindingDB50200707
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC504200.0 nMPMID27789137BindingDB,ChEMBL

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