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Literature summary for 3.4.24.69 extracted from

  • Bremer, P.; Hixon, M.; Janda, K.
    Benzoquinones as inhibitors of botulinum neurotoxin serotype A (2014), Bioorg. Med. Chem., 22, 3971-3981.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.24.69

Inhibitors

Inhibitors Comment Organism Structure
2,5-dichlorocyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2,5-dimethoxy-3-(4-methylphenyl)naphthalene-1,4-dione
-
 Clostridium botulinum
2-(3,6-dioxocyclohexa-1,4-dien-1-yl)acetic acid
-
 Clostridium botulinum
2-(4-iodophenyl)cyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-(4-methylphenyl)naphthalene-1,4-dione
-
 Clostridium botulinum
2-(pyridin-2-ylamino)cyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-amino-N-(4-phenoxyphenyl)acetamide
-
 Clostridium botulinum
2-amino-N-[3-(benzyloxy)phenyl]acetamide
-
 Clostridium botulinum
2-chlorocyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-methoxy-3-(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-methoxycyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-methylcyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-methylnaphthalene-1,4-dione
-
 Clostridium botulinum
2-phenylcyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
2-[[17-oxoestra-1,3,5(10)-trien-3-yl]oxy]cyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
3-(3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
-
 Clostridium botulinum
5,8-dihydroxynaphthalene-1,4-dione
-
 Clostridium botulinum
5,8-dioxo-5,8-dihydronaphthalen-1-yl acetate
-
 Clostridium botulinum
5,8-dioxo-5,8-dihydronaphthalen-1-yl cyclopentanecarboxylate
-
 Clostridium botulinum
5-(benzyloxy)naphthalene-1,4-dione
-
 Clostridium botulinum
5-hydroxynaphthalene-1,4-dione
-
 Clostridium botulinum
5-methoxynaphthalene-1,4-dione
-
 Clostridium botulinum
5-methyl-2-(propan-2-yl)naphthalene-1,4-dione
-
 Clostridium botulinum
6-hydroxynaphthalene-1,4-dione
-
 Clostridium botulinum
6-[(2,5-dimethoxyphenyl)amino]-N-(4-phenoxybenzyl)picolinamide
-
 Clostridium botulinum
6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-N-(4-phenoxybenzyl)picolinamide
-
 Clostridium botulinum
cyclohexa-2,5-diene-1,4-dione
-
 Clostridium botulinum
methyl 6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]picolinate
-
 Clostridium botulinum
N-(4-phenoxybenzyl)picolinamide
-
 Clostridium botulinum
N-(pyridin-2-yl)prop-2-enamide
-
 Clostridium botulinum
N-(pyridin-3-yl)prop-2-enamide
-
 Clostridium botulinum
N-([1,1'-biphenyl]-4-ylmethyl)-1-(2,5-dimethoxybenzyl)-1H-1,2,4-triazole-3-carboxamide
-
 Clostridium botulinum
N-([1,1'-biphenyl]-4-ylmethyl)-1-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
-
 Clostridium botulinum
N-([1,1'-biphenyl]-4-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
-
 Clostridium botulinum
N-([1,1'-biphenyl]-4-ylmethyl)-2-aminoacetamide
-
 Clostridium botulinum
N-[3-(benzyloxy)phenyl]-2-[(2,5-dimethoxybenzyl)amino]acetamide
-
 Clostridium botulinum
N-[3-(benzyloxy)phenyl]-2-[[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]amino]acetamide
-
 Clostridium botulinum
naphthalene-1,4-dione
-
 Clostridium botulinum

Organism

Organism UniProt Comment Textmining
Clostridium botulinum A5HZZ9
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
SNAPtide + H2O
-
 Clostridium botulinum ?
-
 ?

Synonyms

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0023
-
 at pH 7.4 and 37°C Clostridium botulinum 6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-N-(4-phenoxybenzyl)picolinamide
0.0025
-
 at pH 7.4 and 37°C Clostridium botulinum N-([1,1'-biphenyl]-4-ylmethyl)-1-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
0.014
-
 at pH 7.4 and 37°C Clostridium botulinum methyl 6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]picolinate
0.018
-
 at pH 7.4 and 37°C Clostridium botulinum N-[3-(benzyloxy)phenyl]-2-[[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]amino]acetamide
0.025
-
 at pH 7.4 and 37°C Clostridium botulinum N-[3-(benzyloxy)phenyl]-2-[(2,5-dimethoxybenzyl)amino]acetamide
0.04
-
 at pH 7.4 and 37°C Clostridium botulinum N-([1,1'-biphenyl]-4-ylmethyl)-1-(2,5-dimethoxybenzyl)-1H-1,2,4-triazole-3-carboxamide
0.048
-
 at pH 7.4 and 37°C Clostridium botulinum N-(pyridin-3-yl)prop-2-enamide
0.097
-
 at pH 7.4 and 37°C Clostridium botulinum 2-(pyridin-2-ylamino)cyclohexa-2,5-diene-1,4-dione
0.1
-
 at pH 7.4 and 37°C Clostridium botulinum N-(pyridin-2-yl)prop-2-enamide
0.12
-
 at pH 7.4 and 37°C Clostridium botulinum 2-amino-N-(4-phenoxyphenyl)acetamide
0.16
-
 at pH 7.4 and 37°C Clostridium botulinum N-([1,1'-biphenyl]-4-ylmethyl)-2-aminoacetamide
0.2
-
 at pH 7.4 and 37°C Clostridium botulinum 6-[(2,5-dimethoxyphenyl)amino]-N-(4-phenoxybenzyl)picolinamide
0.21
-
 at pH 7.4 and 37°C Clostridium botulinum N-([1,1'-biphenyl]-4-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
0.417
-
 at pH 7.4 and 37°C Clostridium botulinum 2-amino-N-[3-(benzyloxy)phenyl]acetamide
0.57
-
 at pH 7.4 and 37°C Clostridium botulinum N-(4-phenoxybenzyl)picolinamide