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Ligand · N2U

N2U · O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate

N2U, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate (C24 H30 N2 O6, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
N2U
Formula
C24 H30 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

N2U in 2 structures; the first of them:

  • 8ABX · Crystal structure of IDO1 in complex with Apoxidole-1 · N2U A509 · binds TYR126, CYS129, VAL130, PHE163, SER167, ILE217, PHE226, GLY262 and 8 more
  • 8ABX · Crystal structure of IDO1 in complex with apoxidole-1 · N2U A509 · binds TYR126, CYS129, VAL130, PHE163, SER167, ILE217, PHE226, GLY262 and 8 more

Residues it binds most

PHE 2, SER 2, ILE 2, TYR 2, ALA 2, CYS 2, GLN 2, GLY 2, HIS 2, VAL 2 (residue and the binding sites it lines).

Found with

  • N39 · O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl) sulfonylamino]pent-2-ene-1,2,5-tricarboxylate
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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