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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

NameCHEMBL481197
Molecular formulaC21H30F3N3O3S
IUPAC name(1S,4R)-7,7-dimethyl-1-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-ol
Molecular weight461.544
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50412555
SCHEMBL14465721
Inchi KeyZNGVTBVYSZJBBY-PTZILIPGSA-N
Inchi IDInChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17?,20+/m0/s1
PubChem CID44570219
ChEMBLCHEMBL481197
IUPHARN/A
BindingDB50412555
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50630.96 nMPMID19014886BindingDB,ChEMBL

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