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Ligand · OWW

OWW · 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy) phenyl]propyl]benzamide

OWW, 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy) phenyl]propyl]benzamide (C28 H26 F3 N3 O4, 525.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
OWW
Formula
C28 H26 F3 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

OWW in 2 structures; the first of them:

  • 6YL4 · Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)… · OWW A601 · binds PHE267, PRO268, ASP335, TRP336, MET339, THR360, PRO371, SER374 and 18 more
  • 6YL4 · Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)… · OWW A601 · binds PHE267, ASP335, TRP336, MET339, ILE375, TYR383, GLN384, PHE387 and 10 more

Residues it binds most

MET 2, PHE 2, LEU 2, ASP 2, TRP 2, TYR 2, SER 1, GLN 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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