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Literature summary for 2.1.1.6 extracted from
- Design, synthesis and in vitro/in vivo evaluation of orally bioavailable prodrugs of a catechol-O-methyltransferase inhibitor (2010), Bioorg. Med. Chem. Lett., 20, 2614-2616.
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
- |
Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (2-amino-3-methylbutanoyloxy)methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens |  |
| (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| 1-(butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| 1-(isobutyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| 3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acid | - |
Homo sapiens | |
| benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| butyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| butyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| isobutyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| isopropyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
| propyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | - |
Homo sapiens | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | - |
- |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
- |
Homo sapiens |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| esculetin + S-adenosyl-L-methionine | - |
Homo sapiens | ? + S-adenosyl-L-homocysteine | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| catechol-O-transferase | - |
Homo sapiens |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.000001 | - |
3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acid | Ki value below 0.000001 mM, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000011 | - |
isopropyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000013 | - |
butyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000016 | - |
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000022 | - |
methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.000006 | - |
(2-amino-3-methylbutanoyloxy)methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000092 | - |
propyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000102 | - |
benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000106 | - |
butyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.0000166 | - |
1-(butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.000017 | - |
1-(isobutyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
| 0.000017 | - |
isobutyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | pH not specified in the publication, temperature not specified in the publication | Homo sapiens | |
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