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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

NameCHEMBL2018957
Molecular formulaC20H18ClN3O4S2
IUPAC name5-chloro-N-[4-methoxy-1-[(3-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
Molecular weight463.951
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsDLFVVZIHINTTJC-UHFFFAOYSA-N
5-Chloro-N-(4-(methyloxy)-1-{[3-(methyloxy)phenyl]methyl}-1H-indazol-3-yl)-2-thiophenesulfonamide
SCHEMBL355893
BDBM50380870
Inchi KeyDLFVVZIHINTTJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClN3O4S2/c1-27-14-6-3-5-13(11-14)12-24-15-7-4-8-16(28-2)19(15)20(22-24)23-30(25,26)18-10-9-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
PubChem CID59455992
ChEMBLCHEMBL2018957
IUPHARN/A
BindingDB50380870
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50158.49 nMPMID22437117BindingDB,ChEMBL
Ki125.89 nMPMID22437117BindingDB,ChEMBL

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