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Ligand · IP6

IP6 · N~3~-[3-(1H-indol-6-yl)benzyl]pyridine-2,3-diamine

IP6, N~3~-[3-(1H-indol-6-yl)benzyl]pyridine-2,3-diamine (C20 H18 N4, 314.4 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…

Component
IP6
Formula
C20 H18 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

IP6 in 2 structures; the first of them:

  • 2OHT · X-ray crystal structure of beta secretase complexed with compound 7 · IP6 A601 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, TYR71 and 7 more
  • 2OHT · X-ray crystal structure of beta secretase complexed with compound 7 · IP6 A601 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, TYR71 and 7 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide

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