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Ligand · 9IN

9IN · N-(3-furoyl)-D-valyl-L-valyl-N~1~-((1R,2Z)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-D-leucinamide

9IN, N-(3-furoyl)-D-valyl-L-valyl-N~1~-((1R,2Z)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-D-leucinamide (C32 H49 N5 O8, 631.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
9IN
Formula
C32 H49 N5 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IN in 2 structures; the first of them:

  • 2AMD · Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 · 9IN A1001 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more
  • 2AMD · Crystal structure of SARS_COV mpro in complex with an inhibitor N9 · 9IN A1001 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more

Residues it binds most

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

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