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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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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

NameCHEMBL376069
Molecular formulaC25H18N2O5S
IUPAC name4-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)naphthalene-1-sulfonamide
Molecular weight458.488
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsAC1NSLAZ
Oprea1_083862
SCHEMBL1338789
CAJQUHISZZKNRC-UHFFFAOYSA-N
MolPort-016-586-334
[ Show all ]
Inchi KeyCAJQUHISZZKNRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H18N2O5S/c1-32-17-12-10-16(11-13-17)26-33(30,31)23-15-14-22(18-6-2-3-7-19(18)23)27-24(28)20-8-4-5-9-21(20)25(27)29/h2-15,26H,1H3
PubChem CID5335896
ChEMBLCHEMBL376069
IUPHARN/A
BindingDB50203901
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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