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Ligand · 3SE

3SE · 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one

3SE, 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one (C14 H15 F3 N4 O2 S, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3SE
Formula
C14 H15 F3 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3SE in 2 structures; the first of them:

  • 3SDG · Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug… · 3SE A217 · binds LEU87, LEU90, MET102, TRP103, GLY106, ILE107, PHE110, PHE114 and 12 more
  • 3SDG · Ethionamide boosters part 2: combining bioisosteric replacement and structure-based drug… · 3SE A217 · binds LEU87, LEU90, MET102, TRP103, GLY106, ILE107, PHE110, PHE114 and 12 more

Residues it binds most

TRP 2, LEU 2, PHE 2, ASN 2, MET 2, GLU 2, GLY 2, ILE 2, THR 2, TYR 2 (residue and the binding sites it lines).

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