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Ligand · IFO

IFO · (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid

IFO, (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid (C23 H24 F2 N2 O7 S, 510.5 g/mol), in the MolNFT structures on GenesisL1…

Component
IFO
Formula
C23 H24 F2 N2 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IFO in 2 structures; the first of them:

  • 7Z59 · SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative · IFO A401 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 8 more
  • 7Z59 · SARS-cov-2 main protease (mpro) covalently modified with a penicillin derivative · IFO A401 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 8 more

Residues it binds most

CYS 2, HIS 2, MET 2, ARG 2, ASN 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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