Reaction Details Report a problem with these data
Target
Sphingomyelinase C
Ligand
BDBM248065
Substrate
n/a
Meas. Tech.
Turbidometric Assay
pH
7.5±0
Temperature
310.15±0 K
IC50
>2.0e+4±n/a nM
Citation
 Oda, M; Imagawa, H; Kato, R; Yabiku, K; Yoshikawa, T; Takemoto, T; Takahashi, H; Yamamoto, H; Nishizawa, M; Sakurai, J; Nagahama, M Novel inhibitor of bacterial sphingomyelinase, SMY-540, developed based on three-dimensional structure analysis. J Enzyme Inhib Med Chem 29:303-10 (2014) [PubMed]  Article 
Target
Name:
Sphingomyelinase C
Synonyms:
PHL2_BACCE | Sphingomyelinase (SMase) | sph
Type:
Enzyme
Mol. Mass.:
36871.19
Organism:
Bacillus cereus
Description:
P11889
Residue:
333
Sequence:
MKGKLLKGVLSLGVGLGALYSGTSAQAEASTNQNDTLKVMTHNVYMLSTNLYPNWGQTERADLIGAADYIKNQDVVILNEVFDNSASDRLLGNLKKEYPNQTAVLGRSSGSEWDKTLGNYSSSTPEDGGVAIVSKWPIAEKIQYVFAKGCGPDNLSNKGFVYTKIKKNDRFVHVIGTHLQAEDSMCGKTSPASVRTNQLKEIQDFIKNKNIPNNEYVLIGGDMNVNKINAENNNDSEYASMFKTLNASVPSYTGHTATWDATTNSIAKYNFPDSPAEYLDYIIASKDHANPSYIENKVLQPKSPQWTVTSWFQKYTYNDYSDDYPVEATISMK
  
Inhibitor
Name:
BDBM248065
Synonyms:
SMY-469a
Type:
Small organic molecule
Emp. Form.:
C36H39N3O5
Mol. Mass.:
593.712
SMILES:
CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)\C=C\COc1ccc(cc1)C(=O)c1ccccc1 |r|
Structure:
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