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Ligand · 964

964 · 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid

964, 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid (C19 H27 N5 O5 S2, 469.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
964
Formula
C19 H27 N5 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

964 in 2 structures; the first of them:

  • 1NWL · Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic · 964 A501 · binds LYS41, ARG45, TYR46, CYS47, ASP48, VAL49, CYS215, ALA217 and 5 more
  • 1NWL · Crystal structure of the PTP1B complexed with SP7343-SP7964, a ptyr mimetic · 964 A501 · binds LYS41, ARG45, TYR46, CYS47, ASP48, VAL49, CYS215, ALA217 and 5 more

Residues it binds most

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

Found with

  • MG · Magnesium ion

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