GL1X · GenesisL1 explorer

Ligand · WSN

WSN · N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide

WSN, N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide (C26 H28 F2 N4 O4, 498.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
WSN
Formula
C26 H28 F2 N4 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

WSN in 2 structures; the first of them:

  • 7FQI · Crystal Structure of human Legumain in complex with… · WSN A501 · binds TYR41, ARG44, HIS45, SNN147, HIS148, GLY149, GLU187, ALA188 and 9 more
  • 7FQJ · Crystal Structure of human Legumain in complex with… · WSN A502 · binds TYR41, ARG44, HIS45, SNN147, HIS148, GLY149, GLU187, CYS189 and 8 more

Residues it binds most

TYR 6, HIS 6, SER 6, ALA 6, ARG 6, ASP 6, CYS 6, GLU 6, GLY 6, SNN 6 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • FLC · Citrate anion
  • PG4 · Tetraethylene glycol

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