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Ligand · H2E

H2E · 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one

H2E, 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one (C29 H32 N2 O5 S, 520.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
H2E
Formula
C29 H32 N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H2E in 2 structures; the first of them:

  • 6I3U · Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study… · H2E A901 · binds ALA612, LYS613, SER614, PRO618, GLN620, LEU634, LYS636, ASP644 and 13 more
  • 6I3U · Optimization of potent and selective atm inhibitors suitable for a proof-of-concept study… · H2E A901 · binds ALA612, LYS613, SER614, LEU634, LYS636, TYR670, LEU682, GLN683 and 8 more

Residues it binds most

LEU 2, ILE 2, LYS 2, SER 2, ASP 2, GLN 2, PRO 2, ALA 2, PHE 2, TRP 2 (residue and the binding sites it lines).

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