Ligand · Y54
Y54 · 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
Y54, 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide (C29 H36 N4 O2 S, 504.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…
- Component
- Y54
- Formula
- C29 H36 N4 O2 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
Y54 in 2 structures; the first of them:
- 7LLF · SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 · Y54 A407 · binds LEU162, GLY163, ASP164, GLU167, PRO247, PRO248, TYR264, GLY266 and 6 more
- 7LLF · SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-83 · Y54 A407 · binds LEU162, GLY163, ASP164, GLU167, PRO248, TYR264, GLY266, TYR268 and 3 more
Residues it binds most
TYR 4, GLY 4, PRO 4, GLN 4, ASP 4, GLU 4, LEU 4, THR 4, ASN 2 (residue and the binding sites it lines).
Found with
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