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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

NameCHEMBL221789
Molecular formulaC25H28N2O5S
IUPAC nameethyl 4-[(4-phenylmethoxynaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate
Molecular weight468.568
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50203928
ethyl 4-(1-(benzyloxy)naphthalene-4-sulfonamido)piperidine-1-carboxylate
Inchi KeyLWQBKOSBMCBUHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O5S/c1-2-31-25(28)27-16-14-20(15-17-27)26-33(29,30)24-13-12-23(21-10-6-7-11-22(21)24)32-18-19-8-4-3-5-9-19/h3-13,20,26H,2,14-18H2,1H3
PubChem CID16105840
ChEMBLCHEMBL221789
IUPHARN/A
BindingDB50203928
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki37.9 nMPMID17266208BindingDB,ChEMBL

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