Ligand · A1AGG
A1AGG · (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
A1AGG, (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C27 H40 N4 O9 S, 596.7 g/mol), in the MolNFT structures on GenesisL1…
- Component
- A1AGG
- Formula
- C27 H40 N4 O9 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
A1AGG in 2 structures; the first of them:
- 9ASZ · Crystal structure of SARS-CoV-2 3CL protease in complex with a phenylethyl 2-pyrrolidone… · A1AGG A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
- 9ATA · Crystal structure of MERS 3CL protease in complex with a phenylethyl 2-pyrrolidone… · A1AGG A401 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, GLY146, SER147 and 13 more
Residues it binds most
HIS 4, LEU 4, CYS 4, GLN 4, MET 4, ALA 4, ASP 4, GLU 4, GLY 4, PHE 4 (residue and the binding sites it lines).
Found with
- A1AGH · (1R,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
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