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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

NameCHEMBL3116473
Molecular formulaC25H29Cl2FN6O
IUPAC name3-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyridin-3-yl]-1,2,4-oxadiazole
Molecular weight519.446
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50446654
SCHEMBL13147561
Inchi KeyBDSGFLHMKUKCCT-FQEVSTJZSA-N
Inchi IDInChI=1S/C25H29Cl2FN6O/c1-2-20-15-33(25-22(27)11-18(13-29-25)24-30-16-35-31-24)9-10-34(20)21-5-7-32(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3/t20-/m0/s1
PubChem CID59772540
ChEMBLCHEMBL3116473
IUPHARN/A
BindingDB50446654
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50286.0 nMPMID24486132BindingDB,ChEMBL

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