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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

NameCHEMBL220801
Molecular formulaC26H34FN3O3
IUPAC name1-(3-acetylphenyl)-3-[3-[(2S,4R)-4-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)piperidin-2-yl]propyl]urea
Molecular weight455.574
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50193781
SCHEMBL7662809
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl)piperidin-2-yl)propyl)-3-(3-acetylphenyl)urea
Inchi KeyAEEJHYWVYVJIRH-OFVILXPXSA-N
Inchi IDInChI=1S/C26H34FN3O3/c1-19(32)22-4-2-5-24(18-22)29-26(33)28-12-3-6-25-17-21(11-13-30(25)14-15-31)16-20-7-9-23(27)10-8-20/h2,4-5,7-10,18,21,25,31H,3,6,11-17H2,1H3,(H2,28,29,33)/t21-,25-/m0/s1
PubChem CID22966050
ChEMBLCHEMBL220801
IUPHARN/A
BindingDB50193781
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.0 nMPMID16931001BindingDB,ChEMBL

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