Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReceptor-histidine kinase AgrC
LigandBDBM50151871
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305474
IC50 0.3±n/a nM
Citation Chan WCCoyle BJWilliams P Virulence regulation and quorum sensing in staphylococcal infections: competitive AgrC antagonists as quorum sensing inhibitors. J Med Chem 47:4633-41 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Receptor-histidine kinase AgrC
Name:Receptor-histidine kinase AgrC
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:49890.25
Organism:Staphylococcus aureus
Description:ChEMBL_305973
Residue:430
Sequence:
MELLNSYNFVLFVLTQMILMFTIPAIISGIKYSKLDYFFIIVISTLSLFLFKMFDSASLI
ILTSFIIIMYFVKIKWYSILLIMTSQIILYCANYMYIVIYAYITKISDSIFVIFPSFFVV
YVTISILFSYIINRVLKKISTPYLILNKGFLIVISTILLLTFSLFFFYSQINSDEAKVIR
QYSFIFIGITIFLSILTFVISQFLLKEMKYKRNQEEIETYYEYTLKIEAINNEMRKFRHD
YVNILTTLSEYIREDDMPGLRDYFNKNIVPMKDNLQMNAIKLNGIENLKVREIKGLITAK
ILRAQEMNIPISIEIPDEVSSINLNMIDLSRSIGIILDNAIEASTEIDDPIIRVAFIESE
NSVTFIVMNKCADDIPRIHELFQESFSTKGEGRGLGLSTLKEIADNADNVLLDTIIENGF
FIQKVEIINN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50151871
n/a
NameBDBM50151871
Synonyms:2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-propionylamino}-N-(3-benzyl-9,12-bis-hydroxymethyl-6-isobutyl-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraaza-cyclohexadec-15-yl)-3-hydroxy-butyramide | CHEMBL359961
TypeSmall organic molecule
Emp. Form.C40H56N8O13S
Mol. Mass.888.983
SMILESCC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: