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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

NameCHEMBL252258
Molecular formulaC26H32F4N4O2
IUPAC name1-[8-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight508.562
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50227866
1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
Inchi KeyIENZWNOPOBXYDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32F4N4O2/c1-15(35)34-23-3-2-4-24(34)8-16(7-23)14-33-21-5-6-22(33)13-20(12-21)32-25(36)31-19-10-17(26(28,29)30)9-18(27)11-19/h7,9-11,20-24H,2-6,8,12-14H2,1H3,(H2,31,32,36)
PubChem CID24936155
ChEMBLCHEMBL252258
IUPHARN/A
BindingDB50227866
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.0 nMPMID18032038BindingDB,ChEMBL

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