Reaction Details Report a problem with these data
Target
Histidine protein kinase SaeS
Ligand
BDBM50468034
Substrate
n/a
Meas. Tech.
ChEMBL_1797900 (CHEMBL4270017)
Kd
6800±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:
Histidine protein kinase SaeS
Synonyms:
2.7.13.3 | Histidine protein kinase SaeS | SAES_STAA8 | Sensor protein SaeS | Staphylococcus exoprotein expression protein S | saeS
Type:
PROTEIN
Mol. Mass.:
39733.95
Organism:
Staphylococcus aureus (strain NCTC 8325)
Description:
ChEMBL_117842
Residue:
351
Sequence:
MVLSIRSQIIIGVVSSILLTSTILAIAYILMWFNGHMTLTLTLTTIITSCLTLLICSIFINPLIQKIKQFNIKTKQFANGNYASNDKTFNSPKEIYELNQSFNKMASEITQQMNQIKSEQQEKTELIQNLAHDLKTPLASIISYSEGLRDGIITKDHEIKESYDILIKQANRLSTLFDDMTHIITLNTGKTYPPELIQLDQLLVSILQPYEQRIKHENRTLEVNFCNEIDAFYQYRTPLERILTNLLDNALKFSNVGSRIDINISENEDQDTIDIAISDEGIGIIPELQERIFERTFRVENSRNTKTGGSGLGLYIANELAQQNNAKISVSSDIDVGTTMTVTLHKLDITS
  
Inhibitor
Name:
BDBM50468034
Synonyms:
CHEMBL4286992
Type:
Small organic molecule
Emp. Form.:
C25H30O6
Mol. Mass.:
426.5021
SMILES:
CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)CC(O)c2ccc(O)cc2)c1O
Structure:
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