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Ligand · BE5

BE5 · (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexan ediamide

BE5, (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexan ediamide (C38 H36 F4 N2 O8, 724.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
BE5
Formula
C38 H36 F4 N2 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

BE5 in 2 structures; the first of them:

  • 1W5X · HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor · BE5 A501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1W5X · HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor · BE5 A501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

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

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