Ligand · 5IW

5IW · (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide

5IW, (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide (C32 H40 N4 O5, 560.7 g/mol), in the MolNFT structures on…

Component: 5IW
Formula: C32 H40 N4 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

5IW in 2 structures; the first of them:

7WOH · SARS-CoV-2 3CLpro · 5IW A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
7WOH · SARS-cov-2 3CLPRO · 5IW A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more

Residues it binds most

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

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