GL1X · GenesisL1 explorer

Ligand · WBW

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

WBW, (6S,9aS)-8-(anthracen-9-ylmethyl)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide (C31 H35 F3 N4 O3, 568.6 g/mol), in the MolNFT structures on…

Component
WBW
Formula
C31 H35 F3 N4 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

WBW in 1 structure; the first of them:

  • 9IRM · Structure of ClpP from Staphylococcus aureus in complex with ZG283 · WBW A201 · binds ARG23, LEU24, ASP27, ILE29, MET31, TYR61, TYR63, ILE91 and 10 more

Residues it binds most

ILE 14, LEU 14, MET 14, TYR 14, ALA 14, ARG 14, ASP 14, GLN 14, HIS 14, PHE 14 (residue and the binding sites it lines).

Found with

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

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