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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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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

NameCHEMBL218502
Molecular formulaC24H20N2O3S
IUPAC nameN-[4-[methyl(phenyl)sulfamoyl]naphthalen-1-yl]benzamide
Molecular weight416.495
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50203862
N-[4-(methyl-phenyl-sulfamoyl)-naphthalen-1-yl]-benzamide
Inchi KeyCVBPCHAWPDLWBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20N2O3S/c1-26(19-12-6-3-7-13-19)30(28,29)23-17-16-22(20-14-8-9-15-21(20)23)25-24(27)18-10-4-2-5-11-18/h2-17H,1H3,(H,25,27)
PubChem CID16105759
ChEMBLCHEMBL218502
IUPHARN/A
BindingDB50203862
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<44000.0 nMPMID17266208BindingDB,ChEMBL

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