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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

NameCHEMBL221978
Molecular formulaC26H28FN3O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-4-fluorobenzamide
Molecular weight497.585
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50203903
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-4-fluorobenzamide
Inchi KeyLLEHETDEZNVDGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28FN3O4S/c1-2-5-25(31)30-16-14-20(15-17-30)29-35(33,34)24-13-12-23(21-6-3-4-7-22(21)24)28-26(32)18-8-10-19(27)11-9-18/h3-4,6-13,20,29H,2,5,14-17H2,1H3,(H,28,32)
PubChem CID16105773
ChEMBLCHEMBL221978
IUPHARN/A
BindingDB50203903
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5059.5 nMPMID17266208BindingDB,ChEMBL

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