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Ligand · 439

439 · 6-chloro-N-{(3S)-1-[(1S)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide

439, 6-chloro-N-{(3S)-1-[(1S)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide (C25 H26 Cl N3 O3 S, 484.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
439
Formula
C25 H26 Cl N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

439 in 2 structures; the first of them:

  • 2Y80 · Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with… · 439 A1245 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 2Y80 · Structure and property based design of factor xa inhibitors: pyrrolidin-2-ones with… · 439 A1245 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • MG · Magnesium ion

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