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Ligand · 45Y

45Y · 2-(4-fluorophenyl)acetohydrazide

45Y, 2-(4-fluorophenyl)acetohydrazide (C8 H9 F N2 O, 168.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
45Y
Formula
C8 H9 F N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

45Y in 3 structures; the first of them:

  • 4Y3M · Endothiapepsin in complex with fragment 103 · 45Y A405 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 8S49 · CdaA-B06 complex · 45Y B201 · binds ILE5, HIS10, ILE13, GLU14, GLU17, HIS146, LEU150
  • 4Y3M · Endothiapepsin in complex with fragment 103 · 45Y A405 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more

Residues it binds most

ILE 3, GLY 2, ASP 2, GLU 1, HIS 1, PHE 2, SER 2, THR 2, TYR 2, LEU 1 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol
  • NA · Sodium ion

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