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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

NameCHEMBL246584
Molecular formulaC24H33N3O3S
IUPAC name(2S)-N-[1-(2-methylpropyl)piperidin-4-yl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
Molecular weight443.606
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50209275
(S)-N-(1-isobutylpiperidin-4-yl)-1-(naphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
Inchi KeyAOWXTMWQPFORIG-QHCPKHFHSA-N
Inchi IDInChI=1S/C24H33N3O3S/c1-18(2)17-26-14-11-21(12-15-26)25-24(28)23-8-5-13-27(23)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,18,21,23H,5,8,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
PubChem CID44440045
ChEMBLCHEMBL246584
IUPHARN/A
BindingDB50209275
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10000.0 nMPMID17395464BindingDB,ChEMBL

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