Ligand · XTJ
XTJ · (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
XTJ, (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate (C21 H28 F N3 O5, 421.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…
- Component
- XTJ
- Formula
- C21 H28 F N3 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
XTJ in 2 structures; the first of them:
- 7LCO · Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies &… · XTJ A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
- 7LCO · Improved feline drugs as SARS-cov-2 mpro inhibitors: structure- activity studies &… · XTJ A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
Residues it binds most
HIS 2, LEU 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).
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