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Ligand · WYE

WYE · (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one

WYE, (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one (C22 H22 N4 O4, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
WYE
Formula
C22 H22 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

WYE in 2 structures; the first of them:

  • 3LJ3 · PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor · WYE A1109 · binds MET804, TRP812, ILE831, LYS833, LEU838, ASP841, TYR867, CYS869 and 11 more
  • 3LJ3 · PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor · WYE A1109 · binds MET804, TRP812, ILE831, LYS833, LEU838, ASP841, TYR867, CYS869 and 11 more

Residues it binds most

ILE 2, ASP 2, MET 2, PHE 2, ALA 2, CYS 2, GLU 2, LEU 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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