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Ligand · A1ITO

A1ITO · (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

A1ITO, (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide (C16 H12 Cl N O2, 285.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
A1ITO
Formula
C16 H12 Cl N O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1ITO in 1 structure; the first of them:

  • 9HBQ · SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide · A1ITO A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 8 more

Residues it binds most

HIS 1, MET 1, ARG 1, ASN 1, ASP 1, CYS 1, GLN 1, GLU 1, LEU 1, PHE 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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