Literature summary for 4.1.1.50 extracted from

Volkov, O.A.; Brockway, A.J.; Wring, S.A.; Peel, M.; Chen, Z.; Phillips, M.A.; De Brabander, J.K.
Species-selective pyrimidineamine inhibitors of Trypanosoma brucei S-adenosylmethionine decarboxylase (2018), J. Med. Chem., 61, 1182-1203 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
structure of proenzyme in complex with putrescine and inhibitor N4-(3,5-dibromophenyl)-6-methylpyrimidine-2,4-diamine	Trypanosoma brucei brucei

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	identification of a inhibitor series based on a pyrimidineamine pharmacophore. The pyrimidineamines show selectivity for Trypanosoma brucei enzyme over the human enzyme, inhibit parasite growth in whole-cell assay, and have good predicted blood-brain barrier penetration	Trypanosoma brucei brucei
N4-(3,5-dibromophenyl)-6-methylpyrimidine-2,4-diamine	more than 100fold selectivity for Trypanosoma brucei enzyme over human enzyme	Trypanosoma brucei brucei
N4-(3,5-dichloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine	more than 100fold selectivity for Trypanosoma brucei enzyme over human enzyme	Trypanosoma brucei brucei

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma brucei brucei	Q587A7	sequence of proenzyme	-
Trypanosoma brucei brucei 927/4 GUTat10.1	Q587A7	sequence of proenzyme	-

Synonyms

Synonyms	Comment	Organism
Tb927.6.4410	-	Trypanosoma brucei brucei

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0015	-	pH 7.2, temperature not specified in the publication	Trypanosoma brucei brucei	N4-(3,5-dichloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
0.0019	-	pH 7.2, temperature not specified in the publication	Trypanosoma brucei brucei	N4-(3,5-dibromophenyl)-6-methylpyrimidine-2,4-diamine

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Release 2023.1 (January 2023)