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Ligand · 0IW

0IW · Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide

0IW, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide (C32 H40 N4 O4 S, 576.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
0IW
Formula
C32 H40 N4 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

0IW in 2 structures; the first of them:

  • 8HE9 · Crystal structure of CTSB in complex with K777 · 0IW A301 · binds GLN23, GLY27, CYS29, TRP30, ASP69, CYS71, ASN72, GLY73 and 12 more
  • 8HFV · Crystal structure of CTSL in complex with K777 · 0IW A310 · binds GLN19, GLY23, CYS25, TRP26, GLU63, CYS65, ASN66, GLY67 and 12 more

Residues it binds most

GLY 5, ALA 5, CYS 5, TRP 5, MET 5, ASN 5, ASP 5, GLN 5, GLU 5, HIS 5 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CAC · Cacodylate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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