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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

NameCHEMBL500786
Molecular formulaC29H36F3N3O6S2
IUPAC nametert-butyl N-[2-[[2-[[(1S,2R)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate
Molecular weight643.737
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP5.7
SynonymsBDBM50268417
SCHEMBL2996021
tert-butyl 2-(2-((1S,2R)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethylcarbamoyl)-4-(trifluoromethyl)phenylcarbamate
Inchi KeyAQNFYKDVSLJZMX-MBSDFSHPSA-N
Inchi IDInChI=1S/C29H36F3N3O6S2/c1-28(2,3)41-27(38)35-24-14-9-19(29(30,31)32)15-22(24)26(37)33-16-25(36)34-23-8-6-5-7-18(23)17-43(39,40)21-12-10-20(42-4)11-13-21/h9-15,18,23H,5-8,16-17H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t18-,23-/m0/s1
PubChem CID10153431
ChEMBLCHEMBL500786
IUPHARN/A
BindingDB50268417
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
Inhibition9.4 %PMID19481449ChEMBL

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