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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

NameCHEMBL470431
Molecular formulaC24H34ClFN2
IUPAC name1-[(4-chloro-2-fluorophenyl)methyl]-N-(5,7-dimethyl-2-adamantyl)piperidin-4-amine
Molecular weight404.998
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50413573
Inchi KeyBGSDICWSHGFKQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34ClFN2/c1-23-10-17-12-24(2,15-23)13-18(11-23)22(17)27-20-5-7-28(8-6-20)14-16-3-4-19(25)9-21(16)26/h3-4,9,17-18,20,22,27H,5-8,10-15H2,1-2H3
PubChem CID44592267
ChEMBLCHEMBL470431
IUPHARN/A
BindingDB50413573
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki501.19 nMPMID19299127BindingDB,ChEMBL

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