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Ligand · 5PB

5PB · 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

5PB, 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (C23 H18 Cl N3 O3 S, 451.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
5PB
Formula
C23 H18 Cl N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

5PB in 2 structures; the first of them:

  • 3AD5 · Crystal structure of Triazolone derivative bound to the kinase domain of human LCK… · 5PB A1 · binds LEU251, VAL259, ALA271, LYS273, GLU288, THR316, GLU317, TYR318 and 5 more
  • 3AD5 · Crystal structure of triazolone derivative bound to the kinase domain of human lck… · 5PB A1 · binds LEU251, VAL259, ALA271, LYS273, GLU288, THR316, GLU317, TYR318 and 5 more

Residues it binds most

GLU 2, LEU 2, ALA 2, ASN 2, GLY 2, LYS 2, MET 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol

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