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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

NameCHEMBL218375
Molecular formulaC26H29N3O5S
IUPAC nameethyl 4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
Molecular weight495.594
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
Synonyms4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid ethyl ester
BDBM50203881
SCHEMBL1339287
Inchi KeyLGJRRERRFSZFTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-25(30)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30)
PubChem CID16105788
ChEMBLCHEMBL218375
IUPHARN/A
BindingDB50203881
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID17266208BindingDB,ChEMBL

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