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Ligand · 3HH

3HH · N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide

3HH, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide (C34 H37 F2 N5 O4, 617.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
3HH
Formula
C34 H37 F2 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3HH in 2 structures; the first of them:

  • 3OHH · Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889… · 3HH A501 · binds SER58, GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83 and 20 more
  • 3OHH · Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889… · 3HH A501 · binds SER58, GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83 and 20 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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