GL1X · GenesisL1 explorer

Ligand · 586

586 · N-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-N'-(1-phenylethyl)-isophthalamide

586, N-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-N'-(1-phenylethyl)-isophthalamide (C43 H51 F2 N5 O9 S, 852.0 g/mol), in the MolNFT…

Component
586
Formula
C43 H51 F2 N5 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

586 in 2 structures; the first of them:

  • 3IXJ · Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor · 586 A500 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 25 more
  • 3IXJ · Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor · 586 A500 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 25 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.