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Ligand · 517

517 · 1-{2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-5-yl}urea

517, 1-{2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-5-yl}urea (C15 H14 N4 O2, 282.3 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…

Component
517
Formula
C15 H14 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

517 in 2 structures; the first of them:

  • 2PE1 · CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1)… · 517 A501 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 9 more
  • 2PE1 · Crystal structure of human phosphoinositide-dependent protein kinase 1 (PDK1)… · 517 A501 · binds LEU88, GLY89, VAL96, ALA109, LYS111, GLU130, VAL143, LEU159 and 9 more

Residues it binds most

LEU 2, ALA 2, GLU 2, GLY 2, LYS 2, VAL 2, ASP 2, SER 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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