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TitleDiscovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 14522-14529, Year 2020
Publish dateMar 11, 2020 (structure data deposition date)
AuthorsKanouni, T. / Severin, C. / Cho, R.W. / Yuen, N.Y. / Xu, J. / Shi, L. / Lai, C. / Del Rosario, J.R. / Stansfield, R.K. / Lawton, L.N. ...Kanouni, T. / Severin, C. / Cho, R.W. / Yuen, N.Y. / Xu, J. / Shi, L. / Lai, C. / Del Rosario, J.R. / Stansfield, R.K. / Lawton, L.N. / Hosfield, D. / O'Connell, S. / Kreilein, M.M. / Tavares-Greco, P. / Nie, Z. / Kaldor, S.W. / Veal, J.M. / Stafford, J.A. / Chen, Y.K.
External linksJ. Med. Chem. / PubMed:33034194
MethodsX-ray diffraction
Resolution2.93 Å
Structure data

PDB-6w4k:
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
Method: X-RAY DIFFRACTION / Resolution: 2.93 Å

Chemicals

ChemComp-V0Y:
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile

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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / Human LSD1 Inhibitor-complex

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