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Ligand · D4E

D4E · (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide

D4E, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide (C28 H35 F3 N4 O3, 532.6 g/mol), in the MolNFT…

Component
D4E
Formula
C28 H35 F3 N4 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

D4E in 1 structure; the first of them:

  • 7XBZ · Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197 · D4E A201 · binds VAL45, LEU49, PHE50, GLN52, ALA53, THR80, HIS83, ARG23 and 10 more

Residues it binds most

ILE 12, LEU 12, MET 12, TYR 12, GLN 12, ALA 12, ARG 12, ASP 12, HIS 12, PHE 12 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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