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Ligand · 9IP

9IP · N~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine

9IP, N~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine (C18 H18 N4 O, 306.4 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…

Component
9IP
Formula
C18 H18 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IP in 2 structures; the first of them:

  • 2OHS · X-ray crystal structure of beta secretase complexed with compound 6b · 9IP A389 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, TYR71 and 9 more
  • 2OHS · X-ray crystal structure of beta secretase complexed with compound 6B · 9IP A389 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, TYR71 and 9 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide

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