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Ligand · TQ1

TQ1 · 5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

TQ1, 5-(hydroxymethyl)-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (C15 H12 N4 O2, 280.3 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
TQ1
Formula
C15 H12 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TQ1 in 2 structures; the first of them:

  • 2YER · Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors · TQ1 A1270 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LEU84, GLU85, TYR86 and 7 more
  • 2YER · Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors · TQ1 A1270 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LEU84, GLU85, TYR86 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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