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Ligand · 7UQ

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

7UQ, 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl) methoxy]phenyl]propanal (C15 H12 F3 N O2, 295.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
7UQ
Formula
C15 H12 F3 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

7UQ in 4 structures; the first of them:

  • 7VQS · Crystal structure of LSD1 in complex with compound 4 · 7UQ A906 · binds GLY330, MET332, VAL333, THR335, PHE538, ALA539, LEU659, LYS661 and 6 more
  • 7VQU · Crystal structure of LSD1 in complex with compound S1427 · 7UQ A906 · binds GLY330, MET332, VAL333, THR335, PHE538, ALA539, LEU659, LYS661 and 7 more
  • 7VQS · Crystal structure of LSD1 in complex with compound 4 · 7UQ A906 · binds GLY330, MET332, VAL333, PHE538, ALA539, LEU659, LYS661, TRP695 and 2 more
  • 7VQU · Crystal structure of LSD1 in complex with compound S1427 · 7UQ A906 · binds GLY330, MET332, VAL333, PHE538, ALA539, LEU659, LYS661, TRP695 and 2 more

Residues it binds most

LEU 4, ALA 4, THR 4, GLY 4, LYS 4, MET 4, PHE 4, TRP 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol
  • TLA · L(+)-tartaric acid

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