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Ligand · 3HF

3HF · N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide

3HF, N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide (C36 H46 N4 O4, 598.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3HF
Formula
C36 H46 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3HF in 2 structures; the first of them:

  • 3OHF · Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295… · 3HF A501 · binds SER58, GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83 and 18 more
  • 3OHF · Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-655295… · 3HF A501 · binds SER58, GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83 and 18 more

Residues it binds most

GLY 4, ILE 4, SER 4, THR 4, ASP 4, GLN 4, TYR 4, ARG 4, LEU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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