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Ligand · 3Z4

3Z4 · 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

3Z4, 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one (C32 H27 N5 O2 S, 545.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3Z4
Formula
C32 H27 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Z4 in 2 structures; the first of them:

  • 4X7L · Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothia… · 3Z4 A1101 · binds LEU599, VAL607, ALA620, ILE621, LYS622, ILE624, VAL636, GLU639 and 17 more
  • 4X7L · Co-crystal structure of perk bound to 4-{2-amino-4-methyl-3-[2… · 3Z4 A1101 · binds LEU599, VAL607, ALA620, ILE621, LYS622, ILE624, VAL636, GLU639 and 17 more

Residues it binds most

LEU 2, ILE 2, VAL 2, LYS 2, PHE 2, ALA 2, ARG 2, ASP 2, CYS 2, GLN 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • TLA · L(+)-tartaric acid

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