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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

NameCHEMBL519434
Molecular formulaC21H28F3N3O3S
IUPAC name(1S,4R)-7,7-dimethyl-1-[[4-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
Molecular weight459.528
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50412604
Inchi KeyBBJLNBYZYLTSEA-JLTOFOAXSA-N
Inchi IDInChI=1S/C21H28F3N3O3S/c1-19(2)14-5-8-20(19,17(28)11-14)13-31(29,30)27-9-6-16(7-10-27)26-18-4-3-15(12-25-18)21(22,23)24/h3-4,12,14,16H,5-11,13H2,1-2H3,(H,25,26)/t14-,20-/m1/s1
PubChem CID44570628
ChEMBLCHEMBL519434
IUPHARN/A
BindingDB50412604
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5031622.8 nMPMID19014886BindingDB,ChEMBL

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