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Ligand · BE6

BE6 · (2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide

BE6, (2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (C38 H36 F4 N2 O8, 724.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
BE6
Formula
C38 H36 F4 N2 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

BE6 in 2 structures; the first of them:

  • 1W5Y · HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor · BE6 A1100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1W5Y · HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor · BE6 A1100 · 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, LEU 2, PRO 2 (residue and the binding sites it lines).

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