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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

NameCHEMBL486656
Molecular formulaC26H34ClN5O3
IUPAC name4-[[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-methylamino]butan-1-ol
Molecular weight500.04
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.1
Synonyms4-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}piperidin-4-yl)(methyl)amino]butan-1-ol
BDBM50245072
Inchi KeyFULJKBQKEUBPBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34ClN5O3/c1-31(12-4-5-15-33)20-10-13-32(14-11-20)26-29-22-17-24(35-3)23(34-2)16-21(22)25(30-26)28-19-8-6-18(27)7-9-19/h6-9,16-17,20,33H,4-5,10-15H2,1-3H3,(H,28,29,30)
PubChem CID44562192
ChEMBLCHEMBL486656
IUPHARN/A
BindingDB50245072
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5061.0 nMPMID18694645BindingDB,ChEMBL
IC50360.0 nMPMID18694645BindingDB,ChEMBL

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