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Ligand · 46J

46J · (3R)-piperidin-3-yl(piperidin-1-yl)methanone

46J, (3R)-piperidin-3-yl(piperidin-1-yl)methanone (C11 H20 N2 O, 196.3 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 and the…

Component
46J
Formula
C11 H20 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

46J in 2 structures; the first of them:

  • 4Y3T · Endothiapepsin in complex with fragment 207 · 46J A416 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 4Y3T · Endothiapepsin in complex with fragment 207 · 46J A416 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more

Residues it binds most

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

Found with

  • 46H · (3S)-piperidin-3-yl(piperidin-1-yl)methanone
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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