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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

NameCHEMBL396102
Molecular formulaC28H30N4O3
IUPAC name5-(6-methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
Molecular weight470.573
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL3071593
BDBM50423249
Inchi KeyBMPKSWZOAVAYOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N4O3/c1-30-21(15-19-5-3-4-6-26(19)30)17-31-13-10-20(11-14-31)32-18-27(35-28(32)33)23-9-12-29-25-8-7-22(34-2)16-24(23)25/h3-9,12,15-16,20,27H,10-11,13-14,17-18H2,1-2H3
PubChem CID10412437
ChEMBLCHEMBL396102
IUPHARN/A
BindingDB50423249
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503162.0 nMPMID17267215BindingDB
IC503162.28 nMPMID17267215ChEMBL

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