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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

NameCHEMBL394467
Molecular formulaC26H30N4O3S
IUPAC name(2S)-1-naphthalen-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
Molecular weight478.611
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50209272
(S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-2-ylmethyl)piperidin-4-yl)pyrrolidine-2-carboxamide
Inchi KeyFLELMKFYZJPMHL-VWLOTQADSA-N
Inchi IDInChI=1S/C26H30N4O3S/c31-26(28-22-12-16-29(17-13-22)19-23-8-3-4-14-27-23)25-9-5-15-30(25)34(32,33)24-11-10-20-6-1-2-7-21(20)18-24/h1-4,6-8,10-11,14,18,22,25H,5,9,12-13,15-17,19H2,(H,28,31)/t25-/m0/s1
PubChem CID44440048
ChEMBLCHEMBL394467
IUPHARN/A
BindingDB50209272
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID17395464BindingDB,ChEMBL

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