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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameCHEMBL1809025
Molecular formulaC24H24N4O2S
IUPAC name(6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight432.542
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50349661
Inchi KeyOOAFUDLLZVCZTG-OXQOHEQNSA-N
Inchi IDInChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1
PubChem CID56677273
ChEMBLCHEMBL1809025
IUPHARN/A
BindingDB50349661
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.0 nMPMID21764306BindingDB,ChEMBL
IC5037.0 nMPMID21764306BindingDB,ChEMBL

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