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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

NameCHEMBL3798941
Molecular formulaC26H31Cl2F3N6O3
IUPAC name[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrrolidin-3-ylmethanone;2,2,2-trifluoroacetic acid
Molecular weight603.468
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyDAGYVHTXPPVTTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30Cl2N6O.C2HF3O2/c25-19-2-1-17(20(26)13-19)15-29-21-4-9-28-23(30-21)31-10-5-24(6-11-31)7-12-32(16-24)22(33)18-3-8-27-14-18;3-2(4,5)1(6)7/h1-2,4,9,13,18,27H,3,5-8,10-12,14-16H2,(H,28,29,30);(H,6,7)
PubChem CID127046190
ChEMBLCHEMBL3798941
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki50.12 nMPMID26991939ChEMBL

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