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Ligand · 2V5

2V5 · N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide

2V5, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide (C29 H41 N7 O5 S, 599.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
2V5
Formula
C29 H41 N7 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2V5 in 2 structures; the first of them:

  • 4PI3 · Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666) · 2V5 A301 · binds GLN19, GLY23, CYS25, TRP26, SER61, CYS63, SER64, GLY65 and 14 more
  • 4PI3 · Crystal structure analysis of cruzain bound to vinyl sulfone analog of wrr-483 (wrr-666) · 2V5 A301 · binds GLN19, GLY23, CYS25, TRP26, SER61, CYS63, SER64, GLY65 and 14 more

Residues it binds most

GLY 4, SER 4, ALA 4, ASP 4, CYS 4, GLN 4, LEU 4, TRP 4, GLU 4, HIS 4 (residue and the binding sites it lines).

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