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Target
Sensory histidine kinase DcuS
Ligand
BDBM50526859
Substrate
n/a
Meas. Tech.
ChEMBL_1901353 (CHEMBL4403575)
IC50
7.9±n/a nM
Citation
 Horswill, AR; Gordon, CP Structure-Activity Relationship Studies of Small Molecule Modulators of the Staphylococcal Accessory Gene Regulator. J Med Chem 63:2705-2730 (2020) [PubMed]  Article 
Target
Name:
Sensory histidine kinase DcuS
Synonyms:
Receptor-histidine kinase AgrC
Type:
PROTEIN
Mol. Mass.:
49890.25
Organism:
Staphylococcus aureus
Description:
ChEMBL_305973
Residue:
430
Sequence:
MELLNSYNFVLFVLTQMILMFTIPAIISGIKYSKLDYFFIIVISTLSLFLFKMFDSASLIILTSFIIIMYFVKIKWYSILLIMTSQIILYCANYMYIVIYAYITKISDSIFVIFPSFFVVYVTISILFSYIINRVLKKISTPYLILNKGFLIVISTILLLTFSLFFFYSQINSDEAKVIRQYSFIFIGITIFLSILTFVISQFLLKEMKYKRNQEEIETYYEYTLKIEAINNEMRKFRHDYVNILTTLSEYIREDDMPGLRDYFNKNIVPMKDNLQMNAIKLNGIENLKVREIKGLITAKILRAQEMNIPISIEIPDEVSSINLNMIDLSRSIGIILDNAIEASTEIDDPIIRVAFIESENSVTFIVMNKCADDIPRIHELFQESFSTKGEGRGLGLSTLKEIADNADNVLLDTIIENGFFIQKVEIINN
  
Inhibitor
Name:
BDBM50526859
Synonyms:
CHEMBL4518791
Type:
Small organic molecule
Emp. Form.:
C38H58N10O13
Mol. Mass.:
862.9263
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](COC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r|
Structure:
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