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Ligand · S1X

S1X · (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2, 3-dihydro-1H-indene-2-carboxylic acid

S1X, (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2, 3-dihydro-1H-indene-2-carboxylic acid (C21 H20 N2 O4, 364.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
S1X
Formula
C21 H20 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S1X in 2 structures; the first of them:

  • 5SPI · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · S1X A201 · binds ASP22, ILE23, VAL24, GLY48, VAL49, ALA52, PRO125, LEU126 and 6 more
  • 5SPI · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · S1X A201 · binds ASP22, VAL24, GLY48, VAL49, ALA52, ALA129, GLY130, ALA154 and 3 more

Residues it binds most

ALA 2, VAL 2, GLY 2, LEU 2, ASP 2, PHE 2, ILE 1, PRO 1 (residue and the binding sites it lines).

Found with

  • S2R · (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2, 3-dihydro-1H-indene-2-carboxylic acid

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