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Ligand · ZPY

ZPY · ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate

ZPY, ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate (C34 H38 F N5 O7 S, 679.8 g/mol), in the MolNFT structures on GenesisL1…

Component
ZPY
Formula
C34 H38 F N5 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZPY in 2 structures; the first of them:

  • 3UQW · Crystal structure of BACE1 with its inhibitor · ZPY A394 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 22 more
  • 3UQW · Crystal structure of BACE1 with its inhibitor · ZPY A394 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 22 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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