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Literature summary extracted from
- Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques (2011), J. Mol. Model., 17, 939-953.
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.3.1.98 | (4S)-1,2-bis(4-chlorophenyl)-5-[2-(2,4-difluorophenyl)-2-oxoethoxy]-4-methylpyrazolidin-3-one | - |
Mycobacterium tuberculosis |  |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4,4-bis(6-phenylhexyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4,4-bis[2-(2,4-difluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(2,4-dichlorobenzyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(2-ethylbutyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(3-methoxybenzyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(3-oxo-3-phenylpropyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(3-phenylpropyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(4-oxo-4-phenylbutyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(4-phenylbutyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(5-phenylpentyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-(6-phenylhexyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-heptylpyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methylpyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 1,2-bis(4-chlorophenyl)-4-[3-(trifluoromethyl)benzyl]pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4'-[[1,2-bis(4-chlorophenyl)-3,5-dioxopyrazolidin-4-yl]methyl]biphenyl-2-carbonitrile | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4,4-bis[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-(2-chlorobenzyl)-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-benzyl-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)-4-methylpyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-[2-(benzylsulfanyl)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-[2-[benzyl(ethyl)amino]ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | 4-[3,5-bis(trifluoromethyl)benzyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | - |
Mycobacterium tuberculosis | |
Localization
| EC Number | Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|---|
| 1.3.1.98 | cytoplasm | - |
Mycobacterium tuberculosis | 5737 | - |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 1.3.1.98 | Mycobacterium tuberculosis | P9WJL9 | - |
- |
| 1.3.1.98 | Mycobacterium tuberculosis H37Rv | P9WJL9 | - |
- |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.3.1.98 | UDP-N-acetylenolpyruvylglucosamine + NADPH + H+ | - |
Mycobacterium tuberculosis | UDP-N-acetylmuramate + NADP+ | - |
? | |
| 1.3.1.98 | UDP-N-acetylenolpyruvylglucosamine + NADPH + H+ | - |
Mycobacterium tuberculosis H37Rv | UDP-N-acetylmuramate + NADP+ | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 1.3.1.98 | EC 1.1.1.158 | formerly | Mycobacterium tuberculosis |
| 1.3.1.98 | MurB | - |
Mycobacterium tuberculosis |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.3.1.98 | FAD | - |
Mycobacterium tuberculosis | |
| 1.3.1.98 | NADPH | - |
Mycobacterium tuberculosis | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 1.3.1.98 | 0.0052 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-[2-(benzylsulfanyl)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0054 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0056 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(4-phenylbutyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0058 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4,4-bis[2-(2,4-difluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0072 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4,4-bis(6-phenylhexyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0072 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4,4-bis[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.0089 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(6-phenylhexyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.01 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(4-oxo-4-phenylbutyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.01 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(5-phenylpentyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.01 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(3-phenylpropyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.011 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(2,4-dichlorobenzyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.011 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4'-[[1,2-bis(4-chlorophenyl)-3,5-dioxopyrazolidin-4-yl]methyl]biphenyl-2-carbonitrile | |
| 1.3.1.98 | 0.011 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.012 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-[3,5-bis(trifluoromethyl)benzyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.013 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(3-oxo-3-phenylpropyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.018 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-[3-(trifluoromethyl)benzyl]pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.02 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)-4-methylpyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.035 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.042 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-heptylpyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.049 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methylpyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | (4S)-1,2-bis(4-chlorophenyl)-5-[2-(2,4-difluorophenyl)-2-oxoethoxy]-4-methylpyrazolidin-3-one | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(3-methoxybenzyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-(2-chlorobenzyl)-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-benzyl-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-(2-ethylbutyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 4-[2-[benzyl(ethyl)amino]ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione | |
| 1.3.1.98 | 0.05 | - |
pH and temperature not specified in the publication | Mycobacterium tuberculosis | 1,2-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]pyrazolidine-3,5-dione | |
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