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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

NameCHEMBL517024
Molecular formulaC23H29N3O3S
IUPAC name(1S,4R)-1-[(4-isoquinolin-3-ylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight427.563
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50412582
Inchi KeyAZQCPPQIWMOIQD-AUSIDOKSSA-N
Inchi IDInChI=1S/C23H29N3O3S/c1-22(2)19-7-8-23(22,20(27)14-19)16-30(28,29)26-11-9-25(10-12-26)21-13-17-5-3-4-6-18(17)15-24-21/h3-6,13,15,19H,7-12,14,16H2,1-2H3/t19-,23-/m1/s1
PubChem CID44570515
ChEMBLCHEMBL517024
IUPHARN/A
BindingDB50412582
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015848.9 nMPMID19014886BindingDB,ChEMBL

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