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Literature summary for 3.4.24.69 extracted from
- A matrix-focused structure-activity and binding site flexibility study of quinolinol inhibitors of botulinum neurotoxin serotype A (2017), Bioorg. Med. Chem. Lett., 27, 675-678 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 2-methyl-7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum |  |
| 2-methyl-7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 2-methyl-7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 5-chloro-7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | - |
Clostridium botulinum | |
| 7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
| 7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | - |
Clostridium botulinum | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 25 kDa synaptosome-associated protein + H2O | Clostridium botulinum | - |
? | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Clostridium botulinum | - |
- |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 25 kDa synaptosome-associated protein + 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 |
|---|---|---|---|---|---|
| 0.0006 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0006 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0007 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 2-methyl-7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0007 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0007 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0007 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0007 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0008 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0012 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0014 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 2-methyl-7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0014 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0014 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0015 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0015 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[phenyl[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0016 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0017 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0019 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0022 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0023 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0024 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0027 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0027 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0035 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0036 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.004 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0041 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0042 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0043 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0044 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0045 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 5-chloro-7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0046 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 2-methyl-7-[phenyl[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
| 0.0046 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(4-fluorophenyl)[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.0062 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[phenyl[(pyridin-3-yl)amino]methyl]quinolin-8-ol | |
| 0.012 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2-fluorophenyl)[(pyrimidin-2-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0123 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyridin-3-yl)amino]methyl]-2-methylquinolin-8-ol | |
| 0.0127 | - |
pH and temperature not specified in the publication | Clostridium botulinum | 7-[(2,4-difluorophenyl)[(pyrimidin-2-yl)amino]methyl]quinolin-8-ol | |
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