GL1X · GenesisL1 explorer

Ligand · 3NS

3NS · (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid

3NS, (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid (C21 H30 N4 O5, 418.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3NS
Formula
C21 H30 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3NS in 2 structures; the first of them:

  • 3NS7 · Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting… · 3NS B1 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, VAL338 and 8 more
  • 3NS7 · Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1BETA converting… · 3NS B1 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, VAL338 and 8 more

Residues it binds most

ARG 2, SER 2, HIS 2, VAL 2, ALA 2, CYS 2, GLN 2, GLY 2, PRO 2, TRP 2 (residue and the binding sites it lines).

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