Ligand · YWJ
YWJ · 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
YWJ, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide (C25 H34 N4 O5, 470.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- YWJ
- Formula
- C25 H34 N4 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
YWJ in 2 structures; the first of them:
- 7MBI · Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor · YWJ A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
- 7MBI · Structure of SARS-COV2 3CL protease covalently bound to peptidomimetic inhibitor · YWJ A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
Residues it binds most
HIS 8, LEU 8, SER 8, MET 8, ALA 8, ARG 8, ASN 8, ASP 8, CYS 8, GLN 8 (residue and the binding sites it lines).
Found with
- FN7 · 2,4,6-trimethylpyridine-3-carboxylic acid
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