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Ligand · I0L

I0L · (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide

I0L, (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide (C29 H36 N4 O4, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
I0L
Formula
C29 H36 N4 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

I0L in 4 structures; the first of them:

  • 7TBC · Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 · I0L A618 · binds SER246, GLN247, ILE264, ASP266, GLY268, SER269, ILE309, PHE311 and 14 more
  • 7TBD · Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 · I0L A801 · binds ASP210, SER211, GLN212, ILE229, ASP231, GLY233, SER234, ILE274 and 14 more
  • 7TBC · Crystal structure of plasmepsin X from plasmodium falciparum in complex with WM382 · I0L A618 · binds SER246, GLN247, ILE264, ASP266, GLY268, SER269, PHE311, SER313 and 9 more
  • 7TBD · Crystal structure of plasmepsin X from plasmodium vivax in complex with WM382 · I0L A801 · binds SER211, GLN212, ILE229, ASP231, GLY233, SER234, PHE276, SER278 and 8 more

Residues it binds most

ILE 6, SER 6, PHE 6, ASP 6, GLY 6, GLN 6, LEU 6, THR 3, MET 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BMA · beta-D-mannopyranose
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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