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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameC-C chemokine receptor type 6
SpeciesHomo sapiens (Human)
GeneCCR6
SynonymDRY6
G-protein coupled receptor 29
GPR-CY4
GPR29
GPRCY4
[ Show all ]
DiseaseN/A
Length374
Amino acid sequenceMSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProtP51684
Protein Data BankN/A
GPCR-HGmod modelP51684
3D structure modelThis predicted structure model is from GPCR-EXP P51684.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4423
IUPHARN/A
DrugBankN/A

Ligand

Name1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
Molecular formulaC17H12ClN5O2S
IUPAC name1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
Molecular weight385.826
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsAKOS003765847
HMS2185N07
700854-73-5
STK508493
MCULE-6239638772
[ Show all ]
Inchi KeyGCLCRIOQVGXDQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12ClN5O2S/c18-11-5-4-8-13(9-11)22-15(24)10-14(16(22)25)26-17-19-20-21-23(17)12-6-2-1-3-7-12/h1-9,14H,10H2
PubChem CID2950397
ChEMBLCHEMBL1450616
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019000.0 nMPubChem BioAssay data setChEMBL

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