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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

NameCHEMBL221639
Molecular formulaC26H28FN3O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-3-fluorobenzamide
Molecular weight497.585
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50203852
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-3-fluorobenzamide
Inchi KeyIWDRXZJZYMGZJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28FN3O4S/c1-2-6-25(31)30-15-13-20(14-16-30)29-35(33,34)24-12-11-23(21-9-3-4-10-22(21)24)28-26(32)18-7-5-8-19(27)17-18/h3-5,7-12,17,20,29H,2,6,13-16H2,1H3,(H,28,32)
PubChem CID16105859
ChEMBLCHEMBL221639
IUPHARN/A
BindingDB50203852
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5020.0 nMPMID17266208BindingDB,ChEMBL

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