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Ligand · 2ZS

2ZS · N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide

2ZS, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide (C31 H48 N4 O7 S, 620.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
2ZS
Formula
C31 H48 N4 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

2ZS in 4 structures; the first of them:

  • 1EPN · A structural comparison of 21 inhibitor complexes of the aspartic proteinase from… · 2ZS E327 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 18 more
  • 1GVT · Endothiapepsin complex with CP-80,794 · 2ZS A400 · binds ILE10, ASP15, ALA16, ASP33, ASP35, GLY37, TYR79, GLY80 and 18 more
  • 1EPN · A structural comparison of 21 inhibitor complexes of the aspartic proteinase from… · 2ZS E327 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 18 more
  • 1GVT · Endothiapepsin complex with cp-80,794 · 2ZS A400 · binds ILE10, ASP15, ALA16, ASP33, ASP35, GLY37, TYR79, GLY80 and 18 more

Residues it binds most

ASP 4, ILE 4, PHE 4, GLY 4, LEU 4, THR 4, TYR 4, ALA 4, SER 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • SUI · (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid

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