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GPCR

NameC-C chemokine receptor type 8
SpeciesHomo sapiens (Human)
GeneCCR8
SynonymGPRCY6
GPR-CY6
CMKBRL2
CKR-L1
ChemR1
[ Show all ]
DiseasePsoriasis
Length355
Amino acid sequenceMDYTLDLSVTTVTDYYYPDIFSSPCDAELIQTNGKLLLAVFYCLLFVFSLLGNSLVILVLVVCKKLRSITDVYLLNLALSDLLFVFSFPFQTYYLLDQWVFGTVMCKVVSGFYYIGFYSSMFFITLMSVDRYLAVVHAVYALKVRTIRMGTTLCLAVWLTAIMATIPLLVFYQVASEDGVLQCYSFYNQQTLKWKIFTNFKMNILGLLIPFTIFMFCYIKILHQLKRCQNHNKTKAIRLVLIVVIASLLFWVPFNVVLFLTSLHSMHILDGCSISQQLTYATHVTEIISFTHCCVNPVIYAFVGEKFKKHLSEIFQKSCSQIFNYLGRQMPRESCEKSSSCQQHSSRSSSVDYIL
UniProtP51685
Protein Data BankN/A
GPCR-HGmod modelP51685
3D structure modelThis predicted structure model is from GPCR-EXP P51685.
BioLiPN/A
Therapeutic Target DatabaseT20575
ChEMBLCHEMBL4596
IUPHAR65
DrugBankN/A

Ligand

NameCHEMBL221841
Molecular formulaC28H33N3O2
IUPAC nameN-[4-[[(1-butanoylpiperidin-4-yl)amino]methyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight443.591
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50203902
N-(4-{[(1-butyrylpiperidin-4-yl)amino]methyl}-1-naphthyl)-2-methylbenzamide
Inchi KeyICGHIKITHSJYDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O2/c1-3-8-27(32)31-17-15-22(16-18-31)29-19-21-13-14-26(25-12-7-6-11-24(21)25)30-28(33)23-10-5-4-9-20(23)2/h4-7,9-14,22,29H,3,8,15-19H2,1-2H3,(H,30,33)
PubChem CID16105765
ChEMBLCHEMBL221841
IUPHARN/A
BindingDB50203902
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<3300.0 nMPMID17266208BindingDB,ChEMBL

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