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Ligand · S45

S45 · (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine

S45, (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine (C13 H14 Cl N3 O, 263.7 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, the residues it…

Component
S45
Formula
C13 H14 Cl N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

S45 in 2 structures; the first of them:

  • 3HCM · Crystal structure of human S100B in complex with S45 · S45 A94 · binds LEU44, THR59, LEU60, ALA75, PHE76, MET79, VAL80, ALA83
  • 3HCM · Crystal structure of human S100B in complex with S45 · S45 A94 · binds LEU44, THR59, LEU60, ALA75, PHE76, MET79, VAL80, ALA83

Residues it binds most

LEU 4, ALA 4, VAL 4, MET 4, PHE 4, THR 4, GLU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ACT · Acetate ion

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