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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

NameCHEMBL456904
Molecular formulaC24H26BrN3O3
IUPAC name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide
Molecular weight484.394
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50292652
SCHEMBL13962998
(+/-)-3-(1''-(4-bromobenzyl)-2,6-dioxo-3,4''-bipiperidin-3-yl)benzamide
Inchi KeyBNIQGAKMYIPZLJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31)
PubChem CID44581160
ChEMBLCHEMBL456904
IUPHARN/A
BindingDB50292652
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503160.0 nMPMID18922694BindingDB,ChEMBL

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