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Ligand · 3P5

3P5 · (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

3P5, (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C22 H26 Br N O4 S, 480.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3P5
Formula
C22 H26 Br N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3P5 in 2 structures; the first of them:

  • 3PI5 · Crystal Structure of Human Beta Secretase in Complex with BFG356 · 3P5 A387 · binds GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71 and 12 more
  • 3PI5 · Crystal structure of human beta secretase in complex with BFG356 · 3P5 A387 · binds GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71 and 12 more

Residues it binds most

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

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