Ligand · YLJ
YLJ · (1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
YLJ, (1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C21 H30 F N3 O8 S, 503.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…
- Component
- YLJ
- Formula
- C21 H30 F N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
YLJ in 2 structures; the first of them:
- 7M03 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 18c · YLJ A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
- 7M03 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 18C · YLJ A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
Residues it binds most
HIS 4, MET 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4, LEU 4 (residue and the binding sites it lines).
Found with
- YLD · (1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
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