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Ligand · NI8

NI8 · (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione

NI8, (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione (C22 H25 N3 O4, 395.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
NI8
Formula
C22 H25 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

NI8 in 2 structures; the first of them:

  • 3QP0 · HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor · NI8 B102 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 14 more
  • 3QP0 · HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor · NI8 B102 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 14 more

Residues it binds most

GLY 2, ASP 2, ILE 2, ALA 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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