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Ligand · PI9

PI9 · (10S,13S,1'R)-13-[1'-hydroxy-2'-(N-P-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene

PI9, (10S,13S,1'R)-13-[1'-hydroxy-2'-(N-P-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene (C32 H48 N4 O6 S, 616.8 g/mol), in the MolNFT structures on…

Component
PI9
Formula
C32 H48 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PI9 in 2 structures; the first of them:

  • 1D4L · HIV-1 protease complexed with a macrocyclic peptidomimetic inhibitor · PI9 A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1D4L · HIV-1 protease complexed with a macrocyclic peptidomimetic inhibitor · PI9 A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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