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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

NameCHEMBL1809042
Molecular formulaC33H40N6O2
IUPAC name(6aR,9R)-4-[2-(4-methylpiperazin-1-yl)ethyl]-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
Molecular weight552.723
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50349676
Inchi KeyVZOONFQHHAHGLM-FYBSXPHGSA-N
Inchi IDInChI=1S/C33H40N6O2/c1-35-14-16-36(17-15-35)18-19-38-22-24-21-30-28(27-10-7-11-29(38)31(24)27)20-25(32(40)37-12-5-6-13-37)23-39(30)33(41)34-26-8-3-2-4-9-26/h2-4,7-11,20,22,25,30H,5-6,12-19,21,23H2,1H3,(H,34,41)/t25-,30-/m1/s1
PubChem CID56663562
ChEMBLCHEMBL1809042
IUPHARN/A
BindingDB50349676
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.0 nMPMID21764306BindingDB,ChEMBL

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