GL1X · GenesisL1 explorer

Ligand · PB8

PB8 · (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide

PB8, (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide (C38 H46 F2 N4 O4, 660.8 g/mol), in the…

Component
PB8
Formula
C38 H46 F2 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

PB8 in 2 structures; the first of them:

  • 3SKG · Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with… · PB8 A394 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 17 more
  • 3SKG · Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with… · PB8 A394 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 17 more

Residues it binds most

GLY 8, THR 8, ILE 8, SER 8, ASP 8, GLN 8, TYR 8, LYS 8, ARG 8, LEU 8 (residue and the binding sites it lines).

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