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Ligand · 4I9

4I9 · 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate

4I9, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate (C15 H11 Cl N2 O2, 286.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
4I9
Formula
C15 H11 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4I9 in 2 structures; the first of them:

  • 7RC0 · X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20 · 4I9 A401 · binds LEU27, PRO39, HIS41, CYS145, HIS163, HIS164, MET165, ASP187
  • 7RC0 · X-ray structure of SARS-cov-2 main protease covalently modified by compound grl-091-20 · 4I9 A401 · binds LEU27, PRO39, HIS41, CYS145, HIS163, HIS164, MET165, ASP187

Residues it binds most

HIS 2, ASP 2, CYS 2, LEU 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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