Reaction Details Report a problem with these data
Target
Sensory histidine kinase DcuS
Ligand
BDBM50151879
Substrate
n/a
Meas. Tech.
ChEMBL_305973 (CHEMBL832959)
IC50
70±n/a nM
Citation
 Chan, WC; Coyle, BJ; Williams, 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 
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:
BDBM50151879
Synonyms:
2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-3-mercapto-propionylamino}-3-carboxy-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-4-methyl-pentanoic acid | CHEMBL360749
Type:
Small organic molecule
Emp. Form.:
C38H60N8O11S
Mol. Mass.:
836.995
SMILES:
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Structure:
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