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Ligand · SQ8

SQ8 · 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one

SQ8, 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one (C25 H23 Cl F N5 O3, 495.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
SQ8
Formula
C25 H23 Cl F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

SQ8 in 2 structures; the first of them:

  • 7B31 · MST3 in complex with compound MRIA9 · SQ8 A401 · binds VAL50, ALA63, LYS65, ILE79, GLU82, ILE83, LEU86, TYR97 and 9 more
  • 7B31 · MST3 in complex with compound MRIA9 · SQ8 A401 · binds VAL50, ALA63, LYS65, ILE79, GLU82, ILE83, LEU86, TYR97 and 9 more

Residues it binds most

ILE 2, LEU 2, ALA 2, GLU 2, TYR 2, ASN 2, ASP 2, LYS 2, MET 2, VAL 2 (residue and the binding sites it lines).

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