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Ligand · 2S4

2S4 · 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide

2S4, 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide (C19 H23 N3 O3, 341.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
2S4
Formula
C19 H23 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2S4 in 2 structures; the first of them:

  • 4OBZ · Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carba… · 2S4 B401 · binds ALA13, GLN14, VAL31, ASP33, GLY35, TYR78, GLY79, SER80 and 12 more
  • 4OBZ · Structure of cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N… · 2S4 B401 · binds ALA13, GLN14, VAL31, ASP33, GLY35, TYR78, GLY79, SER80 and 12 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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