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Ligand · A3E

A3E · 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1, 2,3-triazol-4-yl)pyridin-2-amine

A3E, 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1, 2,3-triazol-4-yl)pyridin-2-amine (C21 H26 N6 O, 378.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
A3E
Formula
C21 H26 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

A3E in 2 structures; the first of them:

  • 5OPR · Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor · A3E A301 · binds THR14, LEU15, VAL23, ALA36, ILE68, MET84, GLU85, LEU86 and 9 more
  • 5OPR · Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor · A3E A301 · binds LEU15, VAL23, ALA36, MET84, GLU85, LEU86, ALA87, GLY90 and 4 more

Residues it binds most

LEU 2, ALA 2, ASP 2, ASN 2, GLU 2, GLY 2, MET 2, VAL 2, HIS 1, ILE 1 (residue and the binding sites it lines).

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