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Ligand · E8H

E8H · 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2, 4A,5,8,8A-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione

E8H, 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2, 4A,5,8,8A-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione (C27 H32 N4 O6, 508.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
E8H
Formula
C27 H32 N4 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

E8H in 3 structures; the first of them:

  • 6FV9 · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 · E8H A1006 · binds TYR668, MET785, ASP822, ILE823, ASN825, TRP836, ALA837, VAL840 and 6 more
  • 6FV9 · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-007 · E8H A1006 · binds TYR668, MET785, ASP822, ILE823, ASN825, TRP836, ALA837, VAL840 and 6 more
  • 6FW3 · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor npd-007 · E8H A523 · binds HIS160, MET273, ASP318, LEU319, ASN321, ILE336, MET357, GLN369 and 2 more

Residues it binds most

MET 8, PHE 8, ILE 8, ASN 8, GLN 8, GLY 8, ASP 7, VAL 4, TRP 5, TYR 5 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • GOL · Glycerol
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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