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Ligand · FVE

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

FVE, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C23 H40 N4 O10 S2, 596.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
FVE
Formula
C23 H40 N4 O10 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

FVE in 4 structures; the first of them:

  • 7T40 · Structure of MERS 3CL protease in complex with inhibitor 10c · FVE A402 · binds HIS41, PHE143, LEU144, CYS145, GLY146, SER147, CYS148, HIS166 and 9 more
  • 7T49 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c · FVE A402 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 8 more
  • 7T40 · Structure of MERS 3CL protease in complex with inhibitor 10C · FVE A402 · binds HIS41, PHE143, LEU144, CYS145, GLY146, SER147, CYS148, HIS166 and 9 more
  • 7T49 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 10C · FVE A402 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 8 more

Residues it binds most

HIS 6, CYS 6, GLN 6, ASP 6, GLU 6, GLY 6, LEU 6, MET 6, PHE 6, SER 6 (residue and the binding sites it lines).

Found with

  • FV5 · (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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