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Ligand · 1YT

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

1YT, (1R,3S,4S,5R)-3-(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide (C27 H36 F4 N2 O4 S, 560.6 g/mol), in the MolNFT structures on GenesisL1…

Component
1YT
Formula
C27 H36 F4 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1YT in 2 structures; the first of them:

  • 4LXK · Crystal Structure of Human Beta Secretase in Complex with compound 11d · 1YT A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 4LXK · Crystal structure of human beta secretase in complex with compound 11D · 1YT 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).

Found with

  • GOL · Glycerol

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