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Literature summary for 1.3.3.4 extracted from
- Design, synthesis, and 3D-QSAR analysis of novel 1,3,4-oxadiazol-2(3H)-ones as protoporphyrinogen oxidase inhibitors (2010), J. Agric. Food Chem., 58, 2643-2651.
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| expression of the His-tagged enzyme in Escherichia coli strain JM109 | Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (2,4-dichlorophenyl)hydrazine | - |
Homo sapiens |  |
| (2-bromo-4-fluorophenyl)hydrazine | - |
Homo sapiens | |
| (4-chloro-2-fluorophenyl)hydrazine | - |
Homo sapiens | |
| 3-(2-bromo-4-fluoro-5-nitrophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-(2-bromo-4-fluorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-(5-amino-2,4-dichlorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-(5-amino-2-bromo-4-fluorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-(5-amino-4-chloro-2-fluorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-(6-bromo-2-[(3-methylbut-2-en-1-yl)sulfanyl]-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 3-[6-bromo-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(2,4-dichloro-5-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(2-[(3,3-dichloroprop-2-en-1-yl)sulfanyl]-6-fluoro-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(4-chloro-2-fluoro-5-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-(6-chloro-2-[(3,3-dichloroprop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-[6-chloro-2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-[6-chloro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| 5-tert-butyl-3-[6-fluoro-2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | - |
Homo sapiens | |
| ethyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| ethyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| ethyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| ethyl 2-((5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-2(3H)-yl)-6-fluorobenzothiazol-2-yl)sulfanyl)propanoate | with a broad spectrum of postemergence herbicidal activity | Homo sapiens | |
| ethyl 2-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)-2-methylpropanoate | - |
Homo sapiens | |
| ethyl 2-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)-2-methylpropanoate | - |
Homo sapiens | |
| ethyl 2-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)propanoate | - |
Homo sapiens | |
| ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | - |
Homo sapiens | |
| ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)propanoate | - |
Homo sapiens | |
| ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)propanoate | - |
Homo sapiens | |
| ethyl 3-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)propanoate | - |
Homo sapiens | |
| ethyl 4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | - |
Homo sapiens | |
| ethyl 4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | - |
Homo sapiens | |
| ethyl 4-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)butanoate | - |
Homo sapiens | |
| methyl (2E)-4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)but-2-enoate | - |
Homo sapiens | |
| methyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| methyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| methyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| additional information | design and synthesis of benzothiazole analogues of oxadiargyl, evaluation as enzyme inhibitors, quantitative structure-activity relationships, overview. Herbicidal potencies of inhibitors in several different plants, overview | Homo sapiens | |
| N'-(2,4-dichlorophenyl)-2,2-dimethylpropanehydrazide | - |
Homo sapiens | |
| N'-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanehydrazide | - |
Homo sapiens | |
| N'-(4-chloro-2-fluorophenyl)-2,2-dimethylpropanehydrazide | - |
Homo sapiens | |
| oxadiargyl | i.e. 3-[2,4-dichloro-5-(2-propynyloxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-(3H)-one, an important PPO-inhibiting commercial herbicide | Homo sapiens | |
| propan-2-yl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| propan-2-yl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| propan-2-yl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| propyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| propyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| propyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | - |
Homo sapiens | |
| S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | - |
Homo sapiens | |
| S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-methyl carbonothioate | - |
Homo sapiens | |
| sulfentrazone | - |
Homo sapiens | |
| tert-butyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
| tert-butyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | - |
Homo sapiens | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | - |
- |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
| recombinant His-tagged enzyme from Escherichia coli strain JM109 by nickel affinity chromatography | Homo sapiens |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| PPO | - |
Homo sapiens |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 7.4 | - |
assay at | Homo sapiens |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.00025 | - |
ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)propanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00032 | - |
ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)propanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00033 | - |
S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.0007 | - |
ethyl 4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.0007 | - |
propyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00072 | - |
sulfentrazone | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00072 | - |
S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-methyl carbonothioate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00084 | - |
tert-butyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00098 | - |
propyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00101 | - |
ethyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00107 | - |
methyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00117 | - |
propan-2-yl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.0013 | - |
S-[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00135 | - |
ethyl 2-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)-2-methylpropanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00142 | - |
ethyl 2-((5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-2(3H)-yl)-6-fluorobenzothiazol-2-yl)sulfanyl)propanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00154 | - |
ethyl 2-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)-2-methylpropanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00158 | - |
ethyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00159 | - |
tert-butyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00169 | - |
ethyl 3-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00169 | - |
ethyl 3-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)propanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00202 | - |
ethyl 4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)butanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00217 | - |
propan-2-yl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.0031 | - |
propyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00311 | - |
5-tert-butyl-3-[6-chloro-2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00399 | - |
methyl ([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00583 | - |
ethyl 4-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)butanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00597 | - |
propan-2-yl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00696 | - |
ethyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00746 | - |
methyl ([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)acetate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00748 | - |
methyl (2E)-4-([5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl)but-2-enoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00813 | - |
ethyl 2-([6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl)propanoate | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.00861 | - |
5-tert-butyl-3-[6-chloro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.01024 | - |
5-tert-butyl-3-(6-chloro-2-[(3,3-dichloroprop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.01092 | - |
5-tert-butyl-3-(2-[(3,3-dichloroprop-2-en-1-yl)sulfanyl]-6-fluoro-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.01112 | - |
3-[6-bromo-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.01592 | - |
5-tert-butyl-3-[6-fluoro-2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
| 0.01863 | - |
3-(6-bromo-2-[(3-methylbut-2-en-1-yl)sulfanyl]-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one | pH 7.4, temperature not specified in the publication | Homo sapiens | |
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