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Ligand · ZPX

ZPX · N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

ZPX, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide (C31 H34 F N5 O5 S, 607.7 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
ZPX
Formula
C31 H34 F N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZPX in 2 structures; the first of them:

  • 3UQU · Crystal structure of BACE1 with its inhibitor · ZPX A394 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 19 more
  • 3UQU · Crystal structure of BACE1 with its inhibitor · ZPX A394 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 19 more

Residues it binds most

GLY 2, SER 2, THR 2, ARG 2, ASP 2, GLN 2, ILE 2, TYR 2, ALA 2, ASN 2 (residue and the binding sites it lines).

Found with

  • URE · Urea
  • CL · Chloride ion
  • SO4 · Sulfate ion

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