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Ligand · N5N

N5N · 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid

N5N, 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid (C26 H34 N6 O6 S, 558.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
N5N
Formula
C26 H34 N6 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

N5N in 2 structures; the first of them:

  • 4AX9 · Human thrombin complexed with Napsagatran, RO0466240 · N5N H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 4AX9 · Human thrombin complexed with napsagatran, RO0466240 · N5N H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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