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Ligand · D5Z

D5Z · (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one

D5Z, (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one (C29 H32 N6 O3, 512.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
D5Z
Formula
C29 H32 N6 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

D5Z in 4 structures; the first of them:

  • 6FDX · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 · D5Z A1003 · binds TYR668, HIS669, MET785, ASP822, ILE823, ASN825, TRP836, ALA837 and 7 more
  • 6FEB · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 · D5Z A511 · binds TYR159, HIS160, THR271, MET273, ASP318, LEU319, ASN321, TYR329 and 13 more
  • 6FDX · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1086 · D5Z A1003 · binds TYR668, HIS669, MET785, ASP822, ILE823, ASN825, TRP836, ALA837 and 7 more
  • 6FEB · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor npd-1086 · D5Z A511 · binds TYR159, HIS160, MET273, ASP318, LEU319, ASN321, TRP332, THR333 and 9 more

Residues it binds most

MET 8, PHE 8, ILE 10, TYR 8, GLN 10, GLY 8, VAL 6, ASN 8, ASP 8, TRP 7 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • GAI · Guanidine
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • FMT · Formic acid

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