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Ligand · 941

941 · 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid

941, 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid (C29 H36 N2 O12, 604.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
941
Formula
C29 H36 N2 O12
Class
ligand
Structures
2
PDB entries
1

Binding sites

941 in 2 structures; the first of them:

  • 1PYN · Dual-site potent, selective protein tyrosine phosphatase 1B inhibitor using a linked… · 941 A322 · binds TYR20, ARG24, TYR46, ARG47, ASP48, VAL49, CYS215, SER216 and 11 more
  • 1PYN · Dual-site potent, selective protein tyrosine phosphatase 1B inhibitor using a linked… · 941 A322 · binds TYR20, ARG24, TYR46, ARG47, ASP48, VAL49, CYS215, SER216 and 11 more

Residues it binds most

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

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