Ligand · 1YS
1YS · (1R,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
1YS, (1R,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
- 1YS
- Formula
- C26 H31 F7 N2 O3 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
1YS in 2 structures; the first of them:
- 4LXA · Crystal Structure of Human Beta Secretase in Complex with Compound 11a · 1YS A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
- 4LXA · Crystal structure of human beta secretase in complex with compound 11A · 1YS 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
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