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Ligand · X8I

X8I · 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one

X8I, 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one (C17 H13 N3 O2, 291.3 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…

Component
X8I
Formula
C17 H13 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X8I in 2 structures; the first of them:

  • 2X8I · Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead… · X8I A1270 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LEU84, GLU85, TYR86 and 6 more
  • 2X8I · Discovery of a novel class of triazolones as checkpoint kinase inhibitors - hit to lead… · X8I A1270 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LEU84, GLU85, TYR86 and 6 more

Residues it binds most

GLU 2, LEU 2, GLY 2, ALA 2, CYS 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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