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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

Namequercetin
Molecular formulaC15H10O7
IUPAC name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular weight302.238
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.5
SynonymsLNS-5662
Bio1_000858
Quercetin, >=95% (HPLC), solid
KBio2_002976
MEGxp0_000381
[ Show all ]
Inchi KeyREFJWTPEDVJJIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PubChem CID5280343
ChEMBLCHEMBL50
IUPHARN/A
BindingDB7460
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<31622.8 nMPMID23437772ChEMBL
IC50<100000.0 nMPMID23437772BindingDB,ChEMBL
IC5010000.0 nMPMID23437772ChEMBL
IC5010200.0 nMPMID23437772BindingDB,ChEMBL
IC50100000.0 nMPMID23437772BindingDB,ChEMBL

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