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Literature summary for 3.1.4.12 extracted from

  • Imagawa, H.; Oda, M.; Takemoto, T.; Yamauchi, R.; Yoshikawa, T.; Yamamoto, H.; Nishizawa, M.; Takahashi, H.; Hashimoto, M.; Yabiku, K.; Nagahama, M.; Sakurai, J.
    Synthesis and evaluation of novel phosphate ester analogs as neutral sphingomyelinase inhibitors (2010), Bioorg. Med. Chem. Lett., 20, 3868-3871.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
N-[(2S,3R,4E)-1-(2,2'-bipyridin-6-ylmethoxy)-3-hydroxyoctadec-4-en-2-yl]hexanamide [Mg2+] i.e. RY221B-a, synthesis, binding simulations and docking study, overview Bacillus cereus
N-[(2S,3R,4E)-3-(2,2'-bipyridin-6-ylmethoxy)-1-hydroxyoctadec-4-en-2-yl]hexanamide i.e. RY221B-b, synthesis, binding simulations and docking study, overview Bacillus cereus

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Bacillus cereus

Organism

Organism UniProt Comment Textmining
Bacillus cereus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
a sphingomyelin + H2O
-
Bacillus cereus a ceramide + choline phosphate
-
?

Synonyms

Synonyms Comment Organism
Bc-SMase
-
Bacillus cereus
neutral sphingomyelinase
-
Bacillus cereus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0052
-
N-[(2S,3R,4E)-1-(2,2'-bipyridin-6-ylmethoxy)-3-hydroxyoctadec-4-en-2-yl]hexanamide [Mg2+] pH and temperature not specified in the publication Bacillus cereus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0012
-
pH and temperature not specified in the publication Bacillus cereus N-[(2S,3R,4E)-1-(2,2'-bipyridin-6-ylmethoxy)-3-hydroxyoctadec-4-en-2-yl]hexanamide [Mg2+]