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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

NameCHEMBL1809012
Molecular formulaC27H28N4O4
IUPAC name(6aR,9R)-9-[(3S,4R)-3,4-dihydroxypiperidine-1-carbonyl]-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight472.545
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.2
SynonymsBDBM50349653
Inchi KeyFCCMYTLKPUHBPV-BMZZKGLRSA-N
Inchi IDInChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1
PubChem CID56667006
ChEMBLCHEMBL1809012
IUPHARN/A
BindingDB50349653
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5040.0 nMPMID21764306BindingDB,ChEMBL

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