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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

NameCHEMBL275593
Molecular formulaC33H38Cl2N4O4S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(5-morpholin-4-ylpentylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide
Molecular weight657.651
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50142395
2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen-1-ylmethyl)-carbamoyl]-methyl}-4-oxo-thiazolidin-3-yl)-N-(5-morpholin-4-yl-pentyl)-acetamide
Inchi KeyDUZDBSMMXWAKOU-CYTLCNBWSA-N
Inchi IDInChI=1S/C33H38Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-4-1-5-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-6-8-23-7-2-3-10-26(23)24/h2-3,6-12,19,29,33H,1,4-5,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
PubChem CID44289105
ChEMBLCHEMBL275593
IUPHARN/A
BindingDB50142395
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
IC502400.0 nMPMID15026036BindingDB,ChEMBL

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