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Ligand · VG4

VG4 · N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide

VG4, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide (C33 H44 N4 O5, 576.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
VG4
Formula
C33 H44 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

VG4 in 2 structures; the first of them:

  • 2VIZ · Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG4 A1448 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 20 more
  • 2VIZ · Human bace-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG4 A1448 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 20 more

Residues it binds most

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

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