GL1X · GenesisL1 explorer

Ligand · QDE

QDE · ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide

QDE, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide (C18 H24 N4 O4 S, 392.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
QDE
Formula
C18 H24 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QDE in 2 structures; the first of them:

  • 6ZAC · PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methan… · QDE A4000 · binds MET752, SER754, PRO758, TRP760, ILE777, LYS779, LEU784, ASP787 and 11 more
  • 6ZAC · PI3K delta in complex with [(dimethylamino) METHYLDIHYDROBENZOXAZIN2METHOXYPYRIDINYL]METHA… · QDE A4000 · binds MET752, SER754, PRO758, TRP760, ILE777, LYS779, LEU784, ASP787 and 11 more

Residues it binds most

ILE 2, ASP 2, MET 2, SER 2, VAL 2, GLU 2, LEU 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

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