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GPCR

NameC-C chemokine receptor type 4
SpeciesHomo sapiens (Human)
GeneCCR4
SynonymK5-5
ChemR13
chemokine (C-C motif) receptor 4
CD194
CCR4
[ Show all ]
DiseaseAsthma
Atopic dermatitis
Autoimmune diabetes
Length360
Amino acid sequenceMNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
UniProtP51679
Protein Data BankN/A
GPCR-HGmod modelP51679
3D structure modelThis predicted structure model is from GPCR-EXP P51679.
BioLiPN/A
Therapeutic Target DatabaseT06955
ChEMBLCHEMBL2414
IUPHAR61
DrugBankN/A

Ligand

NameCHEMBL245313
Molecular formulaC29H34FN3O3S
IUPAC name(2S)-1-(5-fluoronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
Molecular weight523.667
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50209269
(S)-1-(5-fluoronaphthalen-2-ylsulfonyl)-N-methyl-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide
Inchi KeyBRADURLXJDKZGP-NDEPHWFRSA-N
Inchi IDInChI=1S/C29H34FN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
PubChem CID44440065
ChEMBLCHEMBL245313
IUPHARN/A
BindingDB50209269
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki850.0 nMPMID17395464BindingDB,ChEMBL

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