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Ligand · 3Z3

3Z3 · 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

3Z3, 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one (C33 H27 F N6 O2, 558.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3Z3
Formula
C33 H27 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Z3 in 2 structures; the first of them:

  • 4X7K · Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-y… · 3Z3 A1101 · binds LEU599, VAL607, ALA620, ILE621, LYS622, ILE624, VAL636, GLU639 and 17 more
  • 4X7K · Co-crystal structure of perk bound to 4-{2-amino-3-[5-fluoro-2… · 3Z3 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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