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Ligand · FIK

FIK · (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl) oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

FIK, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl) oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C24 H40 N4 O9 S, 560.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
FIK
Formula
C24 H40 N4 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

FIK in 2 structures; the first of them:

  • 7T42 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c · FIK A501 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7T42 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 2C · FIK A501 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more

Residues it binds most

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

Found with

  • FIW · (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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