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Ligand · AQD

AQD · Nemonapride

AQD, Nemonapride (C21 H26 Cl N3 O2, 387.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
AQD
Formula
C21 H26 Cl N3 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

AQD in 3 structures; the first of them:

  • 5WIU · Structure of the human D4 Dopamine receptor in complex with Nemonapride · AQD A1201 · binds VAL87, LEU90, PHE91, LEU111, MET112, ASP115, VAL116, CYS119 and 12 more
  • 5WIU · Structure of the human D4 dopamine receptor in complex with nemonapride · AQD A1201 · binds VAL87, LEU90, PHE91, LEU111, MET112, ASP115, VAL116, CYS119 and 12 more
  • 5WIV · Structure of the sodium-bound human D4 dopamine receptor in complex with nemonapride · AQD A1201 · binds VAL87, LEU90, PHE91, LEU111, MET112, ASP115, VAL116, CYS119 and 13 more

Residues it binds most

LEU 3, PHE 3, SER 3, VAL 3, CYS 3, THR 3, ASP 3, HIS 3, MET 3, TYR 3 (residue and the binding sites it lines).

Found with

  • OLA · Oleic acid
  • PO4 · Phosphate ion
  • PEG · Di(hydroxyethyl)ether
  • GOL · Glycerol
  • NA · Sodium ion

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