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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

NameCHEMBL393721
Molecular formulaC28H30N4O3
IUPAC name3-[1-(1H-indol-2-ylmethyl)azepan-3-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular weight470.573
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsN/A
Inchi KeyICBYBDKMACZOTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N4O3/c1-34-22-9-10-26-24(15-22)23(11-12-29-26)27-18-32(28(33)35-27)21-7-4-5-13-31(17-21)16-20-14-19-6-2-3-8-25(19)30-20/h2-3,6,8-12,14-15,21,27,30H,4-5,7,13,16-18H2,1H3
PubChem CID44439842
ChEMBLCHEMBL393721
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50>50118.7 nMPMID17267215ChEMBL

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