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Ligand · MR0

MR0 · N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide

MR0, N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide (C33 H40 F2 N4 O5, 610.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
MR0
Formula
C33 H40 F2 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

MR0 in 2 structures; the first of them:

  • 2P83 · Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1 · MR0 A801 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, PRO70 and 18 more
  • 2P83 · Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1 · MR0 A801 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, PRO70 and 18 more

Residues it binds most

GLY 6, ILE 6, THR 6, ASP 6, GLN 6, TYR 6, SER 6, LYS 6, ARG 6, LEU 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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