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GPCR

NameC-X-C chemokine receptor type 3
SpeciesMus musculus (Mouse)
GeneCxcr3
SynonymIP-10 receptor
Interferon-inducible protein 10 receptor
GPR9
G protein-coupled receptor 9
CXCR3
[ Show all ]
DiseaseN/A for non-human GPCRs
Length367
Amino acid sequenceMYLEVSERQVLDASDFAFLLENSTSPYDYGENESDFSDSPPCPQDFSLNFDRTFLPALYSLLFLLGLLGNGAVAAVLLSQRTALSSTDTFLLHLAVADVLLVLTLPLWAVDAAVQWVFGPGLCKVAGALFNINFYAGAFLLACISFDRYLSIVHATQIYRRDPRVRVALTCIVVWGLCLLFALPDFIYLSANYDQRLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRFRAMRLVVVVVAAFAVCWTPYHLVVLVDILMDVGVLARNCGRESHVDVAKSVTSGMGYMHCCLNPLLYAFVGVKFREQMWMLFTRLGRSDQRGPQRQPSSSRRESSWSETTEASYLGL
UniProtO88410
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5200
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL253928
Molecular formulaC24H30F4N4O3
IUPAC nameethyl 3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]methyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Molecular weight498.523
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
Synonyms3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido]-piperidin-1-ylmethyl}-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid ethyl ester
BDBM50227874
Inchi KeyVJFABTBDUNBUDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30F4N4O3/c1-2-35-23(34)32-20-3-4-21(32)10-15(9-20)14-31-7-5-18(6-8-31)29-22(33)30-19-12-16(24(26,27)28)11-17(25)13-19/h9,11-13,18,20-21H,2-8,10,14H2,1H3,(H2,29,30,33)
PubChem CID44446438
ChEMBLCHEMBL253928
IUPHARN/A
BindingDB50227874
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki950.0 nMPMID18032038BindingDB,ChEMBL

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