GL1X · GenesisL1 explorer

Ligand · 1YU

1YU · (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide

1YU, (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide (C26 H31 F7 N2 O3 S, 584.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1YU
Formula
C26 H31 F7 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1YU in 2 structures; the first of them:

  • 4LXM · Crystal Structure of Human Beta Secretase in Complex with compound 12a · 1YU A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 4LXM · Crystal structure of human beta secretase in complex with compound 12A · 1YU A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more

Residues it binds most

GLY 6, ILE 6, THR 6, ASP 6, GLN 6, TYR 6, ARG 6, LEU 6, LYS 6, PHE 6 (residue and the binding sites it lines).

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