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Ligand · 596

596 · (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one

596, (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one (C22 H22 N4 O3, 390.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
596
Formula
C22 H22 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

596 in 2 structures; the first of them:

  • 3UMW · Crystal structure of Pim1 kinase in complex with inhibitor… · 596 A400 · binds LEU44, GLY45, SER46, PHE49, VAL52, ALA65, LYS67, GLU89 and 10 more
  • 3UMW · Crystal structure of PIM1 kinase in complex with inhibitor (Z)-2-[(1H… · 596 A400 · binds LEU44, GLY45, SER46, PHE49, VAL52, ALA65, LYS67, GLU89 and 10 more

Residues it binds most

GLU 2, LEU 2, ASP 2, ILE 2, ALA 2, ARG 2, GLY 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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