Inhibitors | Comment | Organism | Structure |
---|---|---|---|
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 | |
3-[6-bromo-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-thiadiazol-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-chloro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-thiadiazol-2(3H)-one | - |
Homo sapiens | |
5-tert-butyl-3-[6-fluoro-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-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-thiadiazol-2(3H)-one | - |
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 [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-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 [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | - |
Homo sapiens | |
additional information | quantitative structure-activity relationships of 1,3,4-thiadiazol-2(3H)-ones and 1,3,4-oxadiazol-2(3H)-ones as human protoporphyrinogen oxidase inhibitors, 23 1,3,4-thiadiazol-2(3H)-ones bearing benzothiazole substructure are designed and synthesized, overview | Homo sapiens | |
oxadiazon | - |
Homo sapiens | |
phenyl 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 | |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | - |
Homo sapiens | |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | - |
Homo sapiens | |
phenyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | - |
Homo sapiens | |
phenyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 3-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 3-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 3-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 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 | |
phenyl 4-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]butanoate | - |
Homo sapiens | |
phenyl 4-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]butanoate | - |
Homo sapiens | |
phenyl 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 | |
phenyl 4-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate | - |
Homo sapiens | |
phenyl [[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]acetate | - |
Homo sapiens | |
phenyl [[5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | - |
Homo sapiens | |
phenyl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]acetate | - |
Homo sapiens | |
phenyl [[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetate | - |
Homo sapiens | |
phenyl [[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-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 [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-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 [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-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-phenyl 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-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl] O-phenyl carbonothioate | - |
Homo sapiens | |
S-[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
protoporphyrinogen IX + 3 O2 | Homo sapiens | - |
protoporphyrin IX + 3 H2O2 | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
protoporphyrinogen IX + 3 O2 | - |
Homo sapiens | protoporphyrin IX + 3 H2O2 | - |
? |
Synonyms | Comment | Organism |
---|---|---|
PPO | - |
Homo sapiens |
protox | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00004 | - |
S-[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl] O-ethyl carbonothioate | pH and temperature not specified in the publication | Homo sapiens | |
0.0002 | - |
S-[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl] O-phenyl carbonothioate | pH and temperature not specified in the publication | Homo sapiens | |
0.00034 | - |
ethyl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.00126 | - |
propan-2-yl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.00128 | - |
phenyl 3-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.00131 | - |
propyl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.00305 | - |
methyl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.00346 | - |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.00582 | - |
phenyl [[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.00589 | - |
phenyl 3-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.00867 | - |
phenyl 4-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]butanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.00926 | - |
phenyl 3-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.00973 | - |
5-tert-butyl-3-[6-fluoro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-thiadiazol-2(3H)-one | pH and temperature not specified in the publication | Homo sapiens | |
0.012 | - |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.0156 | - |
phenyl [[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetate | pH and temperature not specified in the publication | Homo sapiens | |
0.0177 | - |
phenyl 4-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]butanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.0207 | - |
3-[6-bromo-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-thiadiazol-2(3H)-one | pH and temperature not specified in the publication | Homo sapiens | |
0.0214 | - |
5-tert-butyl-3-[6-chloro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazol-5-yl]-1,3,4-thiadiazol-2(3H)-one | pH and temperature not specified in the publication | Homo sapiens | |
0.0275 | - |
phenyl 3-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.0344 | - |
phenyl 2-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-6-chloro-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.0435 | - |
phenyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]-2-methylpropanoate | pH and temperature not specified in the publication | Homo sapiens | |
0.173 | - |
phenyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate | pH and temperature not specified in the publication | Homo sapiens | |
2.45 | - |
phenyl 4-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3(2H)-yl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate | pH and temperature not specified in the publication | Homo sapiens |