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Ligand · 2E8

2E8 · 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

2E8, 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C24 H28 N6 O, 416.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2E8
Formula
C24 H28 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2E8 in 2 structures; the first of them:

  • 4MX9 · CDPK1 from Neospora caninum in complex with inhibitor UW1294 · 2E8 A601 · binds LEU56, GLY57, LYS58, GLY59, VAL64, ALA77, LYS79, LEU102 and 13 more
  • 4MX9 · CDPK1 from neospora caninum in complex with inhibitor UW1294 · 2E8 A601 · binds LEU56, GLY57, LYS58, GLY59, VAL64, ALA77, LYS79, LEU102 and 13 more

Residues it binds most

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

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