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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

NameCHEMBL198077
Molecular formulaC21H27Cl2N5O2
IUPAC nameN-[3-[[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]amino]propyl]-1-methylpiperidine-3-carboxamide
Molecular weight452.38
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50175662
N-(3-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-ylamino)propyl)-1-methylpiperidine-3-carboxamide
Inchi KeyAZHLRQZEGDQSJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27Cl2N5O2/c1-28-11-2-4-15(13-28)20(29)24-8-3-9-25-21-26-10-7-19(27-21)30-14-16-5-6-17(22)12-18(16)23/h5-7,10,12,15H,2-4,8-9,11,13-14H2,1H3,(H,24,29)(H,25,26,27)
PubChem CID44406293
ChEMBLCHEMBL198077
IUPHARN/A
BindingDB50175662
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID16236499BindingDB,ChEMBL

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