Ligand · FEY

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

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 (C30 H44 N4 O9 S, 636.8 g/mol), in the MolNFT structures on GenesisL1: bound…

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

Binding sites

FEY in 3 structures; the first of them:

7T3Z · Structure of MERS 3CL protease in complex with inhibitor 9c · FEY A402 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, GLY146, SER147 and 11 more
7T3Z · Structure of MERS 3CL protease in complex with inhibitor 9C · FEY A402 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, SER147, CYS148 and 10 more
7T48 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 9C · FEY A403 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, CYS145, HIS163 and 8 more

Residues it binds most

HIS 5, LEU 5, CYS 5, GLN 5, MET 5, ASP 5, GLU 5, PHE 5, LYS 4, SER 4 (residue and the binding sites it lines).

Found with

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
CL · Chloride ion

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