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Ligand · IS5

IS5 · N~2~-({[(1R,2R)-2-(3-fluorophenyl) cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

IS5, N~2~-({[(1R,2R)-2-(3-fluorophenyl) cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide (C24 H32 F N3 O5, 461.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
IS5
Formula
C24 H32 F N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

IS5 in 2 structures; the first of them:

  • 7TQ3 · Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c · IS5 A401 · binds LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
  • 7TQ3 · Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 5C · IS5 A401 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 9 more

Residues it binds most

HIS 4, LEU 4, ALA 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, MET 4, PHE 4 (residue and the binding sites it lines).

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