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Ligand · VS1

VS1 · 3-[[N-[morpholin-N-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene

VS1, 3-[[N-[morpholin-N-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene (C31 H37 N3 O5 S, 563.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
VS1
Formula
C31 H37 N3 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

VS1 in 4 structures; the first of them:

  • 1F29 · Crystal structure analysis of cruzain bound to a vinyl sulfone derived inhibitor (I) · VS1 A300 · binds GLN19, GLY23, CYS25, TRP26, CYS63, SER64, GLY65, GLY66 and 11 more
  • 2P86 · The high resolution crystal structure of rhodesain, the major cathepsin L protease from… · VS1 A300 · binds GLN19, GLY23, CYS25, TRP26, PHE61, CYS63, GLY64, GLY65 and 11 more
  • 1F29 · Crystal structure analysis of cruzain bound to a vinyl sulfone derived inhibitor (I) · VS1 A300 · binds GLN19, GLY23, CYS25, TRP26, CYS63, SER64, GLY65, GLY66 and 11 more
  • 2P86 · The high resolution crystal structure of rhodesain, the major cathepsin L protease from… · VS1 A300 · binds GLN19, GLY23, CYS25, TRP26, PHE61, CYS63, GLY64, GLY65 and 11 more

Residues it binds most

GLY 8, ALA 8, CYS 8, LEU 8, MET 8, TRP 8, ASP 8, GLN 8, HIS 8, GLU 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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