Ligand · I54
I54 · (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
I54, (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C21 H30 Cl N3 O8 S, 520.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…
- Component
- I54
- Formula
- C21 H30 Cl N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I54 in 2 structures; the first of them:
- 7TIW · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 · I54 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 7 more
- 7TIW · Crystal structure of SARS-cov-2 3CL in complex with inhibitor EB54 · I54 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 7 more
Residues it binds most
HIS 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2, LEU 2, MET 2 (residue and the binding sites it lines).
Found with
- PO4 · Phosphate ion
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