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Ligand · XQ9

XQ9 · 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

XQ9, 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (C17 H29 N3 O3 S, 355.5 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…

Component
XQ9
Formula
C17 H29 N3 O3 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

XQ9 in 3 structures; the first of them:

  • 5ALZ · ligand complex structure of soluble epoxide hydrolase · XQ9 A1551 · binds PHE267, ASP335, TRP336, MET339, THR360, PHE381, TYR383, GLN384 and 9 more
  • 8QVF · Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with… · XQ9 A601 · binds PHE267, ASP335, TRP336, MET339, THR360, TYR383, GLN384, LEU408 and 6 more
  • 5ALZ · Ligand complex structure of soluble epoxide hydrolase · XQ9 A1551 · binds PHE267, ASP335, TRP336, MET339, THR360, PHE381, TYR383, GLN384 and 9 more

Residues it binds most

LEU 3, PHE 3, MET 3, TRP 3, TYR 3, ASP 3, GLN 3, HIS 3, THR 3, VAL 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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