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Ligand · D55

D55 · 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide

D55, 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide (C21 H28 N2 O4, 372.5 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 residues it…

Component
D55
Formula
C21 H28 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

D55 in 2 structures; the first of them:

  • 2VIQ · Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of… · D55 A1246 · binds VAL41, HIS57, CYS58, THR97A, LEU97B, HIS99, ASP189, SER190 and 10 more
  • 2VIQ · Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of… · D55 A1246 · binds VAL41, HIS57, CYS58, THR97A, LEU97B, HIS99, ASP189, SER190 and 10 more

Residues it binds most

CYS 2, GLY 2, SER 2, HIS 2, VAL 2, ASP 2, GLN 2, LEU 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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