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Ligand · IWB

IWB · methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate

IWB, methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate (C25 H24 N2 O5, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
IWB
Formula
C25 H24 N2 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

IWB in 2 structures; the first of them:

  • 7YFH · Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine, glutamate and… · IWB B904 · binds ASP161, TRP162, SER163, ALA164, ARG194, LEU196, ASP220, ALA221 and 10 more
  • 8E94 · PYD-106-bound Human GluN1a-GluN2C NMDA receptor in intact conformation · IWB B901 · binds ASP161, TRP162, SER163, ALA164, ARG194, LEU196, ASP220, ALA221 and 7 more

Residues it binds most

ALA 2, ARG 2, ASP 2, LYS 2, SER 2, LEU 2, PHE 2, PRO 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GLU · Glutamic acid
  • GLY · Glycine
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose

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