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Ligand · 46O

46O · (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

46O, (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine (C12 H15 N O2, 205.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
46O
Formula
C12 H15 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

46O in 2 structures; the first of them:

  • 4Y41 · Endothiapepsin in complex with fragment 112 · 46O A404 · binds ASP35, TYR79, GLY80, ASP81, SER83, PHE116, LEU125, GLY221 and 4 more
  • 4Y41 · Endothiapepsin in complex with fragment 112 · 46O A404 · binds ASP35, TYR79, GLY80, ASP81, SER83, PHE116, LEU125, GLY221 and 4 more

Residues it binds most

ASP 4, GLY 4, ILE 4, LEU 4, PHE 4, THR 4, TYR 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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