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Ligand · VG0

VG0 · N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

VG0, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (C32 H48 N4 O3, 536.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
VG0
Formula
C32 H48 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VG0 in 2 structures; the first of them:

  • 2VIE · Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5… · VG0 A1448 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
  • 2VIE · Human bace-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5… · VG0 A1448 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more

Residues it binds most

GLY 2, ILE 2, THR 2, ARG 2, ASP 2, GLN 2, SER 2, TYR 2, ASN 2, LEU 2 (residue and the binding sites it lines).

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