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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameCHEMBL247965
Molecular formulaC27H31N3O3
IUPAC name5-(6-methoxyquinolin-4-yl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-oxazolidin-2-one
Molecular weight445.563
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.6
SynonymsSCHEMBL3064508
BDBM50423248
Inchi KeyIIODDFVDNAPMCZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O3/c1-32-22-9-10-25-24(18-22)23(11-14-28-25)26-19-30(27(31)33-26)21-12-16-29(17-13-21)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,14,18,21,26H,5,8,12-13,15-17,19H2,1H3
PubChem CID10433657
ChEMBLCHEMBL247965
IUPHARN/A
BindingDB50423248
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50251.0 nMPMID17267215BindingDB
IC50251.19 nMPMID17267215ChEMBL

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