Ligand · 3XI
3XI · N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
3XI, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide (C26 H44 N4 O5, 492.7 g/mol), in…
- Component
- 3XI
- Formula
- C26 H44 N4 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3XI in 2 structures; the first of them:
- 7WO1 · Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific… · 3XI A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
- 7WO1 · Discovery of SARS-cov-2 3CLPRO peptidomimetic inhibitors through H41- specific… · 3XI A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
Residues it binds most
HIS 2, GLN 2, LEU 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2 (residue and the binding sites it lines).
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