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GPCR

NameC-X-C chemokine receptor type 3
SpeciesRattus norvegicus (Rat)
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 sequenceMYLEVSERQVLDASDIAFLLENSTSPYDYGENESDFSDSPPCPQDFSLNFDRTFLPVLYSLLFLLGLLGNGAVAAVLLSQRTALSSTDTFLLHLAVADVLLVLTLPLWAVDAAAQWVFGSGLCKVAGALFNINFYAGAFLLACISFDRYLSIVHATQIYRRDPWVRVALTCIVVWGLCVLFALPDFIFLSASHDQRLNATHCQYNFPQVGRTALRVLQLVAGFLMPLLVMAYCYAHILAVLLVSRGQRRFRAMRLVVVVVVAFAVCWTPYHLVVLVDILMDVGVLARNCGRESHVDVAKSVTSGMGYMHCCLNPLLYAFVGVKFKEQMWMLLMRLGRSDQRGPQRQPSSSRRESSWSETTEASYLGL
UniProtQ9JII9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075172
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1681848
Molecular formulaC29H31Cl2F2N5O
IUPAC name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
Molecular weight574.498
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50337217
SCHEMBL13205857
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(3,4-difluorobenzyl)nicotinamide
Inchi KeyFMYKWJDOTAPBPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
PubChem CID53322504
ChEMBLCHEMBL1681848
IUPHARN/A
BindingDB50337217
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5097.0 nMPMID21277198BindingDB,ChEMBL

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