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Structure paper

TitleDesign and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 13, Page 848-854, Year 2022
Publish dateOct 20, 2021 (structure data deposition date)
AuthorsKoda, Y. / Sato, S. / Yamamoto, H. / Niwa, H. / Watanabe, H. / Watanabe, C. / Sato, T. / Nakamura, K. / Tanaka, A. / Shirouzu, M. ...Koda, Y. / Sato, S. / Yamamoto, H. / Niwa, H. / Watanabe, H. / Watanabe, C. / Sato, T. / Nakamura, K. / Tanaka, A. / Shirouzu, M. / Honma, T. / Fukami, T. / Koyama, H. / Umehara, T.
External linksAcs Med. Chem. Lett. / PubMed:35586426
MethodsX-ray diffraction
Resolution2.91 - 2.94 Å
Structure data

PDB-7vqs:
Crystal structure of LSD1 in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.94 Å

PDB-7vqt:
Crystal structure of LSD1 in complex with compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.91 Å

PDB-7vqu:
Crystal structure of LSD1 in complex with compound S1427
Method: X-RAY DIFFRACTION / Resolution: 2.94 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-7UQ:
3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal

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

ChemComp-7UW:
3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / DEMETHYLASE / AMINE OXIDASE / CHROMATIN / HISTONE / FAD / MECHANISM-BASED INHIBITOR

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