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Ligand · 0GW

0GW · 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

0GW, 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C13 H12 N4 O2, 256.3 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
0GW
Formula
C13 H12 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0GW in 2 structures; the first of them:

  • 7N5X · Fragment-Based Discovery of a Novel Bruton's Tyrosine Kinase Inhibitor · 0GW A705 · binds LEU408, GLY409, THR410, GLY411, VAL416, ALA428, LYS430, VAL458 and 8 more
  • 7N5X · Fragment-based discovery of a novel BRUTON'S tyrosine kinase inhibitor · 0GW A705 · binds LEU408, GLY409, THR410, GLY411, VAL416, ALA428, LYS430, VAL458 and 8 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • IMD · Imidazole
  • PGO · S-1,2-propanediol

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