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Ligand · YEX

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

YEX, 5-methyl-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one (C15 H12 N4 O, 264.3 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…

Component
YEX
Formula
C15 H12 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

YEX in 2 structures; the first of them:

  • 2YEX · Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors · YEX A1278 · binds LEU15, GLY16, GLU17, VAL23, ALA36, VAL68, LEU84, GLU85 and 8 more
  • 2YEX · Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors · YEX A1278 · binds LEU15, GLY16, GLU17, VAL23, ALA36, VAL68, LEU84, GLU85 and 8 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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