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Target
Sensory histidine kinase DcuS
Ligand
BDBM76798
Substrate
n/a
Meas. Tech.
ChEMBL_1797897 (CHEMBL4270014)
IC50
339000±n/a nM
Citation
 Mizar, P; Arya, R; Kim, T; Cha, S; Ryu, KS; Yeo, WS; Bae, T; Kim, DW; Park, KH; Kim, KK; Lee, SS Total Synthesis of Xanthoangelol B and Its Various Fragments: Toward Inhibition of Virulence Factor Production of Staphylococcus aureus. J Med Chem 61:10473-10487 (2018) [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:
BDBM76798
Synonyms:
(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | (E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one | (E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | (E)-1-[3-[(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | MLS002472953 | SMR001397061 | cid_10409180 | xanthoangelol B
Type:
Small organic molecule
Emp. Form.:
C25H28O5
Mol. Mass.:
408.4868
SMILES:
CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Structure:
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