GL1X · GenesisL1 explorer

Ligand · 83K

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

83K, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide (C45 H64 N6 O6, 785.0 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
83K
Formula
C45 H64 N6 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

83K in 2 structures; the first of them:

  • 7S19 · Crystal structure of cruzain with gallinamide analog from 2-indolyl series · 83K A300 · binds GLN19, CYS22, GLY23, CYS25, TRP26, SER61, CYS63, SER64 and 11 more
  • 7S19 · Crystal structure of cruzain with gallinamide analog from 2-indolyl series · 83K A300 · binds GLN19, GLY23, CYS25, TRP26, CYS63, SER64, GLY65, GLY66 and 8 more

Residues it binds most

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

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