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Literature summary for 3.4.24.69 extracted from

  • Seki, H.; Pellett, S.; Silhar, P.; Stowe, G.; Blanco, B.; Lardy, M.; Johnson, E.; Janda, K.
    Synthesis/biological evaluation of hydroxamic acids and their prodrugs as inhibitors for botulinum neurotoxin A light chain (2014), Bioorg. Med. Chem., 22, 1208-1217.
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
3-(2,4-dichlorophenyl)-5-(4-fluorophenethoxy)-N-hydroxypentanamide
-
Clostridium botulinum
3-(2,4-dichlorophenyl)-N1-(4-fluoro-2-methoxyphenyl)-N5-hydroxypentanediamide
-
Clostridium botulinum
3-(2,4-dichlorophenyl)-N1-(4-fluorophenethyl)-N5-hydroxypentanediamide
-
Clostridium botulinum
3-(2,4-dichlorophenyl)-N1-hydroxy-N5-(4-methoxyphenethyl)pentanediamide
-
Clostridium botulinum
3-(2,4-dichlorophenyl)-N1-hydroxy-N5-(o-tolyl)pentanediamide
-
Clostridium botulinum
5-((3-bromoadamantan-1-yl)methoxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide
-
Clostridium botulinum
5-(allyloxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide
-
Clostridium botulinum
5-(benzyloxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide
-
Clostridium botulinum
N-hydroxy-2-(tricyclo[3.3.1.13,7]dec-1-yl)acetamide
-
Clostridium botulinum
N1-(2-cyclopropylethyl)-3-(2,4-dichlorophenyl)-N5-hydroxypentanediamide
-
Clostridium botulinum
N1-(4-bromophenyl)-3-(2,4-dichlorophenyl)-N5-hydroxypentanediamide
-
Clostridium botulinum

Organism

Organism UniProt Comment Textmining
Clostridium botulinum A5HZZ9
-
-
Clostridium botulinum Hall A5HZZ9
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
SNAP-25 + H2O
-
Clostridium botulinum ?
-
?
SNAP-25 + H2O
-
Clostridium botulinum Hall ?
-
?

Synonyms

Synonyms Comment Organism
BoNT/A
-
Clostridium botulinum
botulinum neurotoxin a
-
Clostridium botulinum

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00046
-
N-hydroxy-2-(tricyclo[3.3.1.13,7]dec-1-yl)acetamide at pH 7.4 and 37°C Clostridium botulinum
0.001
-
3-(2,4-dichlorophenyl)-N1-(4-fluoro-2-methoxyphenyl)-N5-hydroxypentanediamide at pH 7.4 and 37°C Clostridium botulinum
0.0021
-
3-(2,4-dichlorophenyl)-5-(4-fluorophenethoxy)-N-hydroxypentanamide at pH 7.4 and 37°C Clostridium botulinum

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00097
-
at pH 7.4 and 37°C Clostridium botulinum 3-(2,4-dichlorophenyl)-5-(4-fluorophenethoxy)-N-hydroxypentanamide
0.0011
-
at pH 7.4 and 37°C Clostridium botulinum 3-(2,4-dichlorophenyl)-N1-(4-fluoro-2-methoxyphenyl)-N5-hydroxypentanediamide
0.002
-
at pH 7.4 and 37°C Clostridium botulinum 3-(2,4-dichlorophenyl)-N1-hydroxy-N5-(o-tolyl)pentanediamide
0.0026
-
at pH 7.4 and 37°C Clostridium botulinum 3-(2,4-dichlorophenyl)-N1-(4-fluorophenethyl)-N5-hydroxypentanediamide
0.0029
-
at pH 7.4 and 37°C Clostridium botulinum 5-(benzyloxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide
0.0054
-
at pH 7.4 and 37°C Clostridium botulinum 5-(allyloxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide
0.0064
-
at pH 7.4 and 37°C Clostridium botulinum N1-(4-bromophenyl)-3-(2,4-dichlorophenyl)-N5-hydroxypentanediamide
0.0067
-
at pH 7.4 and 37°C Clostridium botulinum 3-(2,4-dichlorophenyl)-N1-hydroxy-N5-(4-methoxyphenethyl)pentanediamide
0.0092
-
at pH 7.4 and 37°C Clostridium botulinum N1-(2-cyclopropylethyl)-3-(2,4-dichlorophenyl)-N5-hydroxypentanediamide
0.013
-
at pH 7.4 and 37°C Clostridium botulinum 5-((3-bromoadamantan-1-yl)methoxy)-3-(2,4-dichlorophenyl)-N-hydroxypentanamide