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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

NameCHEMBL297335
Molecular formulaC29H31Cl2N3O3S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide
Molecular weight572.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50142366
2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(3-morpholin-4-yl-propyl)-4-oxo-thiazolidin-5-yl]-N-naphthalen-1-ylmethyl-acetamide
Inchi KeyCVMYBVZPBADLDU-GGXMVOPNSA-N
Inchi IDInChI=1S/C29H31Cl2N3O3S/c30-22-9-10-24(25(31)17-22)29-34(12-4-11-33-13-15-37-16-14-33)28(36)26(38-29)18-27(35)32-19-21-7-3-6-20-5-1-2-8-23(20)21/h1-3,5-10,17,26,29H,4,11-16,18-19H2,(H,32,35)/t26-,29-/m1/s1
PubChem CID44288779
ChEMBLCHEMBL297335
IUPHARN/A
BindingDB50142366
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
IC5033000.0 nMPMID15026036BindingDB,ChEMBL

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