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Ligand · S8B

S8B · ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide

S8B, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide (C16 H15 N3 O, 265.3 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…

Component
S8B
Formula
C16 H15 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8B in 2 structures; the first of them:

  • 7AWU · Structure of SARS-CoV-2 Main Protease bound to LSN2463359. · S8B A501 · binds SER46, PHE140, LEU141, ASN142, SER144, CSO145, HIS163, HIS164 and 4 more
  • 7AWU · Structure of SARS-cov-2 main protease bound to LSN2463359. · S8B A501 · binds SER46, PHE140, LEU141, ASN142, SER144, CSO145, HIS163, HIS164 and 4 more

Residues it binds most

HIS 2, SER 2, ASN 2, CSO 2, GLN 2, GLU 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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