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Target
Histidine protein kinase SaeS
Ligand
BDBM76798
Substrate
n/a
Meas. Tech.
ChEMBL_1797900 (CHEMBL4270017)
Kd
40000±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 | Sensor protein SaeS | Staphylococcus exoprotein expression protein S | SAES_STAA8 | saeS
Type:
PROTEIN
Mol. Mass.:
39733.95
Organism:
Staphylococcus aureus (strain NCTC 8325 / PS 47)
Description:
ChEMBL_117842
Residue:
351
Sequence:
MVLSIRSQIIIGVVSSILLTSTILAIAYILMWFNGHMTLTLTLTTIITSCLTLLICSIFINPLIQKIKQFNIKTKQFANGNYASNDKTFNSPKEIYELNQSFNKMASEITQQMNQIKSEQQEKTELIQNLAHDLKTPLASIISYSEGLRDGIITKDHEIKESYDILIKQANRLSTLFDDMTHIITLNTGKTYPPELIQLDQLLVSILQPYEQRIKHENRTLEVNFCNEIDAFYQYRTPLERILTNLLDNALKFSNVGSRIDINISENEDQDTIDIAISDEGIGIIPELQERIFERTFRVENSRNTKTGGSGLGLYIANELAQQNNAKISVSSDIDVGTTMTVTLHKLDITS
  
Inhibitor
Name:
BDBM76798
Synonyms:
xanthoangelol B | (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 | SMR001397061 | (E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one | MLS002472953 | cid_10409180 | (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-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: