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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

NameCHEMBL451783
Molecular formulaC28H43N5O2
IUPAC nameN-cycloheptyl-2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Molecular weight481.685
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50244083
N-cycloheptyl-2-(4-(cyclopentyl(methyl)amino)piperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
Inchi KeyDGLJOEVJJUYDCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H43N5O2/c1-32(21-12-8-9-13-21)22-14-16-33(17-15-22)28-30-24-19-26(35-3)25(34-2)18-23(24)27(31-28)29-20-10-6-4-5-7-11-20/h18-22H,4-17H2,1-3H3,(H,29,30,31)
PubChem CID44561294
ChEMBLCHEMBL451783
IUPHARN/A
BindingDB50244083
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity0.12 uMPMID18539035ChEMBL
IC5018.0 nMPMID18539035BindingDB,ChEMBL
Inhibition0.0 %PMID18539035ChEMBL
Inhibition10.0 %PMID18539035ChEMBL

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