GL1X · GenesisL1 explorer

Ligand · 83E

83E · N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1, 1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide

83E, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1, 1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide (C49 H67 N5 O6, 822.1 g/mol), in the MolNFT structures on GenesisL1…

Component
83E
Formula
C49 H67 N5 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

83E in 2 structures; the first of them:

  • 7S18 · Crystal structure of cruzain with gallinamide analog from 2-biaryl series · 83E A300 · binds GLN19, GLY23, SER24, CYS25, TRP26, SER61, CYS63, SER64 and 12 more
  • 7S18 · Crystal structure of cruzain with gallinamide analog from 2-biaryl series · 83E A300 · binds GLN19, GLY23, CYS25, TRP26, CYS63, SER64, GLY65, GLY66 and 7 more

Residues it binds most

GLY 2, CYS 2, LEU 2, SER 2, TRP 2, ALA 2, MET 2, ASP 2, GLN 2, HIS 2 (residue and the binding sites it lines).

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