Target
Sensory histidine kinase DcuS
Ligand
BDBM50526861
Substrate
n/a
Meas. Tech.
ChEMBL_1901357 (CHEMBL4403579)
IC50
3.1±n/a nM
Citation
 Horswill, ARGordon, 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:
BDBM50526861
Synonyms:
CHEMBL2337554
Type:
Small organic molecule
Emp. Form.:
C43H60N8O13S2
Mol. Mass.:
961.112
SMILES:
[H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC |r|
Structure:
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