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Ligand · XN1

XN1 · N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide

XN1, N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide (C37 H49 N5 O4, 627.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
XN1
Formula
C37 H49 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XN1 in 2 structures; the first of them:

  • 1K6T · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN1 B509 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1K6T · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · XN1 B509 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more

Residues it binds most

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

Found with

  • ACT · Acetate ion

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