Inhibitors | Comment | Organism | Structure |
---|---|---|---|
3-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-(dimethylamino)ethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-(piperazin-1-yl)ethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-aminobenzyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-aminoethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-carboxyethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-mercaptoethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(2-methoxyethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(3-aminobenzyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(3-hydroxyphenyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(3-hydroxypropyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(4-aminobenzyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(4-carboxybenzyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(4-hydroxybenzyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(4-hydroxyphenyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(4-methoxyphenyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(5-hydroxyhexyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(5-hydroxypentyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(carboxymethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-(phenethyl)-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-benzyl-1,8-naphthalimide | - |
Homo sapiens | |
4-amino-3-sulfo-N-phenyl-1,8-naphthalimide | - |
Homo sapiens | |
4-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | - |
Homo sapiens | |
additional information | fragment-based in silico screening against dynamin I GTPase activity identified the 1,8-naphthalimide framework as a potential scaffold for the design of new inhibitors targeting the GTP binding pocket of dynI. Structure-based design, synthesis and subsequent optimization resulted in the development of a library of 1,8-naphthalimide derivatives. Development of optimised GTP-competitive lead Naphthaladyn compound for the further development of naphthalimide-based dynI GTPase inhibitor. Molecular docking and molecular modelling representation of the predicted binding pose of naphthalimide 4-amino-3-sulfo-N-(2-aminoethyl)-1,8-naphthalimide within the GTP binding pocket of dynI, crystal structure, PDB ID 3ZYCS | Homo sapiens | |
N-(2-hydroxyethyl)-1,8-naphthalimide | - |
Homo sapiens |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | required | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
GTP + H2O | Homo sapiens | - |
GDP + phosphate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | Q05193 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
GTP + H2O | - |
Homo sapiens | GDP + phosphate | - |
? |
Synonyms | Comment | Organism |
---|---|---|
dynamin I GTPase | - |
Homo sapiens |
dynI | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.4 | - |
assay at | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0185 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(4-carboxybenzyl)-1,8-naphthalimide | |
0.0191 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(carboxymethyl)-1,8-naphthalimide | |
0.0448 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(4-hydroxybenzyl)-1,8-naphthalimide | |
0.062 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(5-hydroxypentyl)-1,8-naphthalimide | |
0.0703 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-benzyl-1,8-naphthalimide | |
0.088 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(3-aminobenzyl)-1,8-naphthalimide | |
0.093 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(3-hydroxypropyl)-1,8-naphthalimide | |
0.094 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(2-carboxyethyl)-1,8-naphthalimide | |
0.113 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(5-hydroxyhexyl)-1,8-naphthalimide | |
0.123 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(4-aminobenzyl)-1,8-naphthalimide | |
0.155 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(2-aminobenzyl)-1,8-naphthalimide | |
0.159 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(3-hydroxyphenyl)-1,8-naphthalimide | |
0.193 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | |
0.296 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(4-hydroxyphenyl)-1,8-naphthalimide | |
0.3 | - |
pH 7.4, 37°C | Homo sapiens | 3-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | |
0.3 | - |
pH 7.4, 37°C | Homo sapiens | 4-sulfo-N-(2-hydroxyethyl)-1,8-naphthalimide | |
0.3 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(2-aminoethyl)-1,8-naphthalimide | |
0.3 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-phenyl-1,8-naphthalimide | |
0.509 | - |
pH 7.4, 37°C | Homo sapiens | 4-amino-3-sulfo-N-(2-(dimethylamino)ethyl)-1,8-naphthalimide |
General Information | Comment | Organism |
---|---|---|
additional information | dynI GTPase domain, important loops close to the GTP binding site, structure overview. The sulfonate moiety has a Mg2+ coordinator within the GTP binding pocket | Homo sapiens |