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Ligand · YM2

YM2 · 1-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one

YM2, 1-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one (C23 H30 N4 O3, 410.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its…

Component
YM2
Formula
C23 H30 N4 O3
Class
ligand
Structures
5
PDB entries
3

Binding sites

YM2 in 5 structures; the first of them:

  • 4CDU · Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3 · YM2 A1298 · binds ILE111, ASP112, ILE113, THR114, PHE131, PHE135, PHE137, TYR153 and 16 more
  • 5ABJ · Structure of Coxsackievirus A16 in complex with GPP3 · YM2 A1299 · binds ILE111, ASP112, LEU113, MET114, PHE131, PHE135, PHE137, TYR153 and 16 more
  • 8AYX · Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex… · YM2 A401 · binds ILE108, THR109, TYR110, LYS111, PHE128, MET130, LEU132, ILE155 and 14 more
  • 4CDU · Crystal structure of human enterovirus 71 in complex with the uncoating inhibitor GPP3 · YM2 A1298 · binds ILE111, ASP112, ILE113, THR114, PHE131, PHE135, PHE137, TYR153 and 16 more
  • 5ABJ · Structure of coxsackievirus A16 in complex with GPP3 · YM2 A1299 · binds ILE111, ASP112, LEU113, MET114, PHE131, PHE135, PHE137, TYR153 and 16 more

Residues it binds most

PHE 5, MET 5, ILE 5, VAL 5, TYR 5, SER 5, PRO 5, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • GSH · Glutathione

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