Ligand · 81L
81L · N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
81L, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (C27 H40 N4 O6, 516.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries).…
- Component
- 81L
- Formula
- C27 H40 N4 O6
- Class
- ligand
- Structures
- 3
- PDB entries
- 2
Binding sites
81L in 3 structures; the first of them:
- 7RVS · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 · 81L A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
- 7UUC · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 · 81L A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 13 more
- 7RVS · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI19 · 81L A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
Residues it binds most
HIS 3, GLN 3, LEU 3, MET 3, ALA 3, ARG 3, ASN 3, ASP 3, CYS 3, GLU 3 (residue and the binding sites it lines).
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