Literature summary for 1.14.99.66 extracted from

Schulz-Fincke, J.; Hau, M.; Barth, J.; Robaa, D.; Willmann, D.; Kuerner, A.; Haas, J.; Greve, G.; Haydn, T.; Fulda, S.; Luebbert, M.; Luedeke, S.; Berg, T.; Sippl, W.; Schuele, R.; Jung, M.
Structure-activity studies on N-substituted tranylcypromine derivatives lead to selective inhibitors of lysine specific demethylase 1 (LSD1) and potent inducers of leukemic cell differentiation (2018), Eur. J. Med. Chem., 144, 52-67 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular docking of inhibitors	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
4-([[(1S,2R)-2-phenylcyclopropyl]amino]ethyl)benzamide	tranylcypromine-based inhibitor with selectivity for LSD1 over MAO-A and MAO-B	Homo sapiens
4-([[(1S,2R)-2-phenylcyclopropyl]amino]ethyl)benzene-1-sulfonamide	tranylcypromine-based inhibitor with selectivity for LSD1 over MAO-A and MAO-B	Homo sapiens
additional information	N-substituted tranylcypromine derivatives without a basic function or even a polar group are potent inhibitors of LSD1 in vitro and effectively inhibit colony formation of leukemic cells in culture, but block the structurally related monoamine oxidases. The introduction of a polar, non-basic function leads to optimized structures that retain potent LSD1 inhibitors but exhibit selectivity over MAOs and are highly potent in the suppression of colony formation of cultured leukemic cells	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	O60341	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
THP-1 cell	-	Homo sapiens	-

Synonyms

Synonyms	Comment	Organism
KDM1A	-	Homo sapiens
LSD1	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000147	-	pH 8.5, 22°C	Homo sapiens	4-([[(1S,2R)-2-phenylcyclopropyl]amino]ethyl)benzene-1-sulfonamide
0.000195	-	pH 8.5, 22°C	Homo sapiens	4-([[(1S,2R)-2-phenylcyclopropyl]amino]ethyl)benzamide

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Release 2023.1 (January 2023)