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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

NameCHEMBL523249
Molecular formulaC20H32N2O
IUPAC name1-(furan-2-ylmethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
Molecular weight316.489
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50413611
Inchi KeyAEBAXYGOMZJIJV-ZTNFWEORSA-N
Inchi IDInChI=1S/C20H32N2O/c1-19(2)15-6-9-20(19,3)18(13-15)21-16-7-10-22(11-8-16)14-17-5-4-12-23-17/h4-5,12,15-16,18,21H,6-11,13-14H2,1-3H3/t15-,18-,20+/m1/s1
PubChem CID44592528
ChEMBLCHEMBL523249
IUPHARN/A
BindingDB50413611
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6309.57 nMPMID19299127BindingDB,ChEMBL

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