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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

NameCHEMBL3697137
Molecular formulaC29H35ClN2O6
IUPAC name(1R,3S)-3-[[[(1S)-1-(4-chlorophenyl)ethyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid
Molecular weight543.057
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.5
SynonymsUS9073853, 101
BDBM166542
SCHEMBL15004818
Inchi KeyAPXRSUDGZXWFQY-SXWKCWPCSA-N
Inchi IDInChI=1S/C29H35ClN2O6/c1-19(22-6-8-24(30)9-7-22)31(17-20-3-5-23(15-20)29(35)36)18-21-4-10-25(26(16-21)37-2)38-14-13-32-27(33)11-12-28(32)34/h4,6-10,16,19-20,23H,3,5,11-15,17-18H2,1-2H3,(H,35,36)/t19-,20-,23+/m0/s1
PubChem CID89610360
ChEMBLCHEMBL3697137
IUPHARN/A
BindingDB166542
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501810.0 nM, NoneBindingDB,ChEMBL

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