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Ligand · 0U4

0U4 · N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

0U4, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (C42 H53 N5 O5 S, 740.0 g/mol), in the MolNFT structures on…

Component
0U4
Formula
C42 H53 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0U4 in 2 structures; the first of them:

  • 4FCO · Crystal structure of bace1 with its inhibitor · 0U4 A504 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 22 more
  • 4FCO · Crystal structure of BACE1 with its inhibitor · 0U4 A504 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 22 more

Residues it binds most

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

Found with

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