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Ligand · FHS

FHS · (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

FHS, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid (C30 H44 N4 O9 S, 636.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3…

Component
FHS
Formula
C30 H44 N4 O9 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

FHS in 3 structures; the first of them:

  • 7T3Z · Structure of MERS 3CL protease in complex with inhibitor 9c · FHS A401 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, GLY146, SER147 and 11 more
  • 7T3Z · Structure of MERS 3CL protease in complex with inhibitor 9C · FHS A401 · binds HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, SER147, CYS148 and 10 more
  • 7T48 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 9C · FHS A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 10 more

Residues it binds most

HIS 5, LEU 5, CYS 5, GLN 5, MET 5, ASP 5, GLU 5, GLY 5, PHE 5, SER 5 (residue and the binding sites it lines).

Found with

  • FEY · (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
  • CL · Chloride ion

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