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Ligand · 4B5

4B5 · N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide

4B5, N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide (C39 H52 N4 O6, 672.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4B5
Formula
C39 H52 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

4B5 in 2 structures; the first of them:

  • 4Y6K · Complex structure of presenilin homologue PSH bound to an inhibitor · 4B5 C501 · binds LEU54, PHE57, THR58, LEU61, LEU62, LEU158, ALA159, TYR161 and 9 more
  • 4Y6K · Complex structure of presenilin homologue psh bound to an inhibitor · 4B5 C501 · binds LEU54, PHE57, THR58, LEU61, LEU62, LEU158, ALA159, TYR161 and 9 more

Residues it binds most

LEU 4, GLY 4, ASP 4, MET 4, ALA 4, ASN 4, THR 4, TYR 4, VAL 4, PHE 2 (residue and the binding sites it lines).

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