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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

NameCHEMBL416069
Molecular formulaC31H42N4O4S
IUPAC name2-[(2R,5R)-2-cyclohexyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide
Molecular weight566.761
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50142386
2-((1R,4R)-2-Cyclohexyl-5-{[(naphthalen-1-ylmethyl)-carbamoyl]-methyl}-4-oxo-thiazolidin-3-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
Inchi KeyCBKJCWSSGNVWCU-DLFZDVPBSA-N
Inchi IDInChI=1S/C31H42N4O4S/c36-28(33-21-25-12-6-11-23-8-4-5-13-26(23)25)20-27-30(38)35(31(40-27)24-9-2-1-3-10-24)22-29(37)32-14-7-15-34-16-18-39-19-17-34/h4-6,8,11-13,24,27,31H,1-3,7,9-10,14-22H2,(H,32,37)(H,33,36)/t27-,31-/m1/s1
PubChem CID44288863
ChEMBLCHEMBL416069
IUPHARN/A
BindingDB50142386
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50100000.0 nMPMID15026036BindingDB,ChEMBL

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