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Ligand · XN3

XN3 · N-[2(R)-hydroxy-1(S)-indanyl]-5-[(2(S)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(S)-hydroxy-2(R)-phenylmethylpentanamide

XN3, N-[2(R)-hydroxy-1(S)-indanyl]-5-[(2(S)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(S)-hydroxy-2(R)-phenylmethylpentanamide (C38 H48 N4 O6, 656.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
XN3
Formula
C38 H48 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

XN3 in 2 structures; the first of them:

  • 1K6P · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN3 B807 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1K6P · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN3 B807 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more

Residues it binds most

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

Found with

  • ACT · Acetate ion

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