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Ligand · LIE

LIE · 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine

LIE, 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine (C20 H16 F3 N5 O, 399.4 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…

Component
LIE
Formula
C20 H16 F3 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

LIE in 2 structures; the first of them:

  • 2GTN · Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 · LIE A354 · binds VAL30, VAL38, ALA51, VAL52, LYS53, GLU71, LEU75, ILE84 and 16 more
  • 2GTN · Mutated MAP kinase P38 (mus musculus) in complex with inhbitor pg- 951717 · LIE A354 · binds VAL30, VAL38, ALA51, VAL52, LYS53, GLU71, LEU75, ILE84 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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