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Ligand · ENS

ENS · methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate

ENS, methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate (C25 H29 Cl N6 O4, 513.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
ENS
Formula
C25 H29 Cl N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

ENS in 2 structures; the first of them:

  • 3ENS · Crystal structure of human FXA in complex with methyl… · ENS B301 · binds GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189, ALA190 and 13 more
  • 3ENS · Crystal structure of human fxa in complex with methyl (2Z)-3-[(3… · ENS B301 · binds GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189, ALA190 and 13 more

Residues it binds most

GLU 4, GLY 4, CYS 4, SER 4, TYR 4, ARG 4, GLN 4, ALA 4, ASP 4, ILE 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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