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Ligand · VG6

VG6 · N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

VG6, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (C31 H35 F3 N4 O3, 568.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VG6
Formula
C31 H35 F3 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VG6 in 2 structures; the first of them:

  • 2VJ7 · Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(… · VG6 A1448 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
  • 2VJ7 · Human bace-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1… · VG6 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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