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Ligand · R9S

R9S · 2-(2-methylphenyl)acetamide

R9S, 2-(2-methylphenyl)acetamide (C9 H11 N O, 149.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
R9S
Formula
C9 H11 N O
Class
ligand
Structures
4
PDB entries
3

Binding sites

R9S in 4 structures; the first of them:

  • 5R0H · PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05… · R9S A2501 · binds HIS1888, PHE1890, LEU1988, PHE1989
  • 5QYD · Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry E05A · R9S A2101 · binds HIS1888, LEU1889, PHE1890, LEU1988, PHE1989
  • 5R0H · Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry E05… · R9S A2501 · binds HIS1888, PHE1890, LEU1988, PHE1989
  • 5RBZ · Pandda analysis group deposition -- endothiapepsin changed state model for fragment… · R9S A401 · binds ASP33, TYR79, ASP81, SER83, PHE116, ILE122, GLY221

Residues it binds most

PHE 4, LEU 3, HIS 3, ASP 1, GLY 1, ILE 1, SER 1, TYR 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol
  • PGR · R-1,2-propanediol

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