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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

NameCHEMBL1085258
Molecular formulaC29H28N2O4S
IUPAC nameN-benzyl-4-[[benzyl-(4-methoxyphenyl)sulfonylamino]methyl]benzamide
Molecular weight500.613
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL12863085
BDBM50320135
N-benzyl-4-((N-benzyl-4-methoxyphenylsulfonamido)methyl)benzamide
Inchi KeyAHMFXDVNFSUGOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N2O4S/c1-35-27-16-18-28(19-17-27)36(33,34)31(21-24-10-6-3-7-11-24)22-25-12-14-26(15-13-25)29(32)30-20-23-8-4-2-5-9-23/h2-19H,20-22H2,1H3,(H,30,32)
PubChem CID44253727
ChEMBLCHEMBL1085258
IUPHARN/A
BindingDB50320135
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50347.0 nMPMID20483605BindingDB,ChEMBL

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