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Ligand · Q49

Q49 · (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one

Q49, (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one (C11 H12 F N O2, 209.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
Q49
Formula
C11 H12 F N O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

Q49 in 3 structures; the first of them:

  • 5SND · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · Q49 A501 · binds PHE203, ALA206, ALA208, HIS269, THR271, ALA272, PHE400, PRO132 and 1 more
  • 7HN0 · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · Q49 B201 · binds ASN25, TRP27, MET39, SER54, ASN55, TYR56, PRO57, PHE177 and 2 more
  • 9F4P · UP1 in complex with Z1217960891 · Q49 A201 · binds PHE17, MET46, PHE57, GLY58, PHE59

Residues it binds most

PHE 4, ALA 2, PRO 3, ASN 1, HIS 2, MET 2, THR 2, TYR 1, GLY 1, SER 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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