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Literature summary for 3.6.5.5 extracted from

  • Abdel-Hamid, M.K.; Macgregor, K.A.; Odell, L.R.; Chau, N.; Mariana, A.; Whiting, A.; Robinson, P.J.; McCluskey, A.
    1,8-Naphthalimide derivatives: new leads against dynamin I GTPase activity (2015), Org. Biomol. Chem., 13, 8016-8028.
    View publication on PubMed
Search for more literature for 3.6.5.5

Inhibitors

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

Metals/Ions Comment Organism Structure
Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
GTP + H2O Homo sapiens
-
 GDP + phosphate
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens Q05193
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
GTP + H2O
-
 Homo sapiens GDP + phosphate
-
 ?

Synonyms

Synonyms Comment Organism
dynamin I GTPase
-
 Homo sapiens
dynI
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
 assay at Homo sapiens

IC50 Value

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

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