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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

NameCHEMBL600018
Molecular formulaC21H29N3O3
IUPAC name4-methyl-3-(4-methylpiperazin-1-yl)-7-(2-pyrrolidin-1-ylethoxy)chromen-2-one
Molecular weight371.481
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50307055
4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(pyrrolidin-1-yl)-ethoxy)-2H-chromen-2-one
Inchi KeyBXEZEVZDFCXRLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O3/c1-16-18-6-5-17(26-14-13-23-7-3-4-8-23)15-19(18)27-21(25)20(16)24-11-9-22(2)10-12-24/h5-6,15H,3-4,7-14H2,1-2H3
PubChem CID45104946
ChEMBLCHEMBL600018
IUPHARN/A
BindingDB50307055
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501510.0 nMPMID20099827BindingDB,ChEMBL

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