GL1X · GenesisL1 explorer

Ligand · 0EN

0EN · N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl) ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

0EN, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl) ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (C26 H31 N3 O3, 433.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
0EN
Formula
C26 H31 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

0EN in 4 structures; the first of them:

  • 3V3M · Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with… · 0EN A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, PHE140, LEU141 and 12 more
  • 7L0D · SARS-CoV-2 Main Protease (Mpro) in Complex with ML188 · 0EN A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140 and 13 more
  • 3V3M · Severe acute respiratory syndrome coronavirus (SARS-cov) 3CL protease in complex with… · 0EN A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, PHE140, LEU141 and 12 more
  • 7L0D · SARS-cov-2 main protease (mpro) in complex with ML188 · 0EN A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140 and 13 more

Residues it binds most

HIS 4, CYS 4, LEU 4, MET 4, THR 4, ARG 4, ASN 4, ASP 4, GLN 4, GLU 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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