Any feedback?
Literature summary for 3.5.1.5 extracted from
- Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors (2014), Bioorg. Chem., 52, 1-7.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| Acetohydroxamic acid | - |
Canavalia ensiformis |  |
| ethyl 4-(3-benzoylthioureido) benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(2,4-dichlorobenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(2-bromobenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(2-fluorobenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(3,4-dimethoxybenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(3-chlorobenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(3-methoxybenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(3-methylbenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(4-methoxybenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| ethyl 4-[3-(4-methylbenzoyl)thioureido]benzoate | - |
Canavalia ensiformis | |
| additional information | design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors, docking study and binding mode analysis, overview. No inhibition by n-propyl gallate and 2-tert-butyl-4-hydroxyanisole. Structure-activity relationship analysis suggests that the urease activity of a particular molecule is apparently governed by the substitution present at aromatic residues | Canavalia ensiformis | |
| Thiourea | halogenated substituted thiourea derivatives are slightly less active than methoxy substituted compounds | Canavalia ensiformis | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| urea + H2O | Canavalia ensiformis | - |
CO2 + 2 NH3 | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Canavalia ensiformis | P07374 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| urea + H2O | - |
Canavalia ensiformis | CO2 + 2 NH3 | - |
? | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00013 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(3,4-dimethoxybenzoyl)thioureido]benzoate | |
| 0.00021 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(4-methoxybenzoyl)thioureido]benzoate | |
| 0.00026 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(3-chlorobenzoyl)thioureido]benzoate | |
| 0.00028 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(2,4-dichlorobenzoyl)thioureido]benzoate | |
| 0.00035 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(2-bromobenzoyl)thioureido]benzoate | |
| 0.00047 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(3-methoxybenzoyl)thioureido]benzoate | |
| 0.00051 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-(3-benzoylthioureido) benzoate | |
| 0.00067 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(4-methylbenzoyl)thioureido]benzoate | |
| 0.00073 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(2-fluorobenzoyl)thioureido]benzoate | |
| 0.0017 | - |
pH 8.2, 37°C | Canavalia ensiformis | ethyl 4-[3-(3-methylbenzoyl)thioureido]benzoate | |
| 0.0203 | - |
pH and temperature not specified in the publication | Canavalia ensiformis | Thiourea | |
| 0.0432 | - |
pH and temperature not specified in the publication | Canavalia ensiformis | Acetohydroxamic acid | |
Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.
Release 2023.1 (January 2023)
Legal
Curated at
Member of
