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Ligand · A1AOW

A1AOW · 4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide

A1AOW, 4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide (C21 H29 N3 O4, 387.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
A1AOW
Formula
C21 H29 N3 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1AOW in 2 structures; the first of them:

  • 8ZQP · Human high-affinity choline transporter CHT1 bound to ML352 under NaCl condition, with… · A1AOW A601 · binds TRP62, GLY65, GLY66, TYR67, TYR91, TRP141, ALA144, ILE145 and 8 more
  • 9BFK · Cryo-EM structure of human CHT1 in the ML352 bound state · A1AOW A801 · binds GLU73, ALA74, VAL77, TYR80, TRP84, THR399, LYS400, THR401 and 5 more

Residues it binds most

TYR 2, GLY 2, TRP 2, LEU 2, ALA 2, THR 1, GLU 1, ILE 1, LYS 1, SER 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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