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GPCR

NameC-C chemokine receptor type 3
SpeciesHomo sapiens (Human)
GeneCCR3
SynonymMIP-1alphaRL-2 (mouse)
Eosinophil eotaxin receptor
CKR3
chemokine (C-C motif) receptor 3
CD193
[ Show all ]
DiseaseAllergic asthma
Allergic rhinitis
Asthma
Length355
Amino acid sequenceMTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF
UniProtP51677
Protein Data BankN/A
GPCR-HGmod modelP51677
3D structure modelThis predicted structure model is from GPCR-EXP P51677.
BioLiPN/A
Therapeutic Target DatabaseT02752, T85228
ChEMBLCHEMBL3473
IUPHAR60
DrugBankN/A

Ligand

NameCHEMBL269898
Molecular formulaC25H30F3N3O2
IUPAC nameN-[2-[[(1S,2S)-2-[(2,4-dimethylphenyl)methylamino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight461.529
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50371422
SCHEMBL3896836
Inchi KeyBAOSLOOKYHKWIN-VXKWHMMOSA-N
Inchi IDInChI=1S/C25H30F3N3O2/c1-16-10-11-19(17(2)12-16)14-29-21-8-3-4-9-22(21)31-23(32)15-30-24(33)18-6-5-7-20(13-18)25(26,27)28/h5-7,10-13,21-22,29H,3-4,8-9,14-15H2,1-2H3,(H,30,33)(H,31,32)/t21-,22-/m0/s1
PubChem CID10115566
ChEMBLCHEMBL269898
IUPHARN/A
BindingDB50371422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition54.0 %PMID18232650ChEMBL

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