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Ligand · XN2

XN2 · N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide

XN2, N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide (C39 H50 N4 O6, 670.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
XN2
Formula
C39 H50 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

XN2 in 2 structures; the first of them:

  • 1K6V · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN2 B252 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1K6V · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN2 B252 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

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

Found with

  • ACT · Acetate ion

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