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Ligand · 1Q1

1Q1 · 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one

1Q1, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one (C12 H12 F N O3, 237.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
1Q1
Formula
C12 H12 F N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1Q1 in 2 structures; the first of them:

  • 4K9G · 1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a… · 1Q1 A202 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, MET101 and 4 more
  • 4K9G · 1.55 a crystal structure of macrophage migration inhibitory factor bound to iso-66 and a… · 1Q1 A202 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, MET101 and 4 more

Residues it binds most

MET 2, TYR 2, ASN 2, HIS 2, ILE 2, LYS 2, PHE 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 1Q2 · (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one
  • CL · Chloride ion
  • SO4 · Sulfate ion

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