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TitleNovel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Journal, issue, pagesEur. J. Med. Chem., Vol. 237, Page 114410-114410, Year 2022
Publish dateJan 8, 2020 (structure data deposition date)
AuthorsMenna, M. / Fiorentino, F. / Marrocco, B. / Lucidi, A. / Tomassi, S. / Cilli, D. / Romanenghi, M. / Cassandri, M. / Pomella, S. / Pezzella, M. ...Menna, M. / Fiorentino, F. / Marrocco, B. / Lucidi, A. / Tomassi, S. / Cilli, D. / Romanenghi, M. / Cassandri, M. / Pomella, S. / Pezzella, M. / Del Bufalo, D. / Zeya Ansari, M.S. / Tomasevic, N. / Mladenovic, M. / Viviano, M. / Sbardella, G. / Rota, R. / Trisciuoglio, D. / Minucci, S. / Mattevi, A. / Rotili, D. / Mai, A.
External linksEur. J. Med. Chem. / PubMed:35525212
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-6tuy:
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-NY8:
~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Epigenetics / histone demethylase / epigenetic inhibitor / dual inhibitor

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