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Ligand · VS4

VS4 · 3-[[N-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide

VS4, 3-[[N-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide (C33 H43 N5 O5 S, 621.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
VS4
Formula
C33 H43 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VS4 in 2 structures; the first of them:

  • 5OGR · Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor · VS4 A401 · binds GLN94, CYS97, GLY98, CYS100, TRP101, GLY138, LEU139, CYS141 and 15 more
  • 5OGR · Structure of cathepsin B1 from schistosoma mansoni in complex with WRR286 inhibitor · VS4 A401 · binds GLN94, GLY98, CYS100, TRP101, LEU139, CYS141, GLU142, GLY143 and 12 more

Residues it binds most

GLY 6, LEU 6, CYS 6, GLU 6, TRP 6, ILE 6, GLN 6, HIS 6, PHE 6, VAL 6 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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