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Ligand · NI5

NI5 · 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one

NI5, 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one (C21 H28 N4 O4 S, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
NI5
Formula
C21 H28 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NI5 in 2 structures; the first of them:

  • 4G2Y · Crystal structure of PDE5A complexed with its inhibitor · NI5 A904 · binds TYR612, LEU725, LEU765, ALA767, ILE768, GLN775, ALA779, VAL782 and 7 more
  • 4G2Y · Crystal structure of PDE5A complexed with its inhibitor · NI5 A904 · binds TYR612, LEU725, LEU765, ALA767, ILE768, GLN775, ALA779, VAL782 and 7 more

Residues it binds most

ALA 2, ILE 2, GLN 2, LEU 2, PHE 2, MET 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • PEG · Di(hydroxyethyl)ether

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