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Ligand · DYV

DYV · 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1, 2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline

DYV, 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1, 2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline (C29 H24 Cl N5 O6, 574.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
DYV
Formula
C29 H24 Cl N5 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

DYV in 3 structures; the first of them:

  • 6BMY · Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors… · DYV A602 · binds GLN79, TYR80, GLU83, HIS84, GLN87, LEU262, TYR263, SER264 and 6 more
  • 6BMX · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitor SHP844 · DYV A601 · binds GLN79, TYR80, GLU83, HIS84, GLN87, LEU262, TYR263, SER264 and 7 more
  • 6BMY · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitors… · DYV A602 · binds GLN79, TYR80, GLU83, HIS84, GLN87, LEU262, TYR263, SER264 and 6 more

Residues it binds most

GLN 6, LYS 6, LEU 6, TYR 6, ARG 6, ASN 6, GLU 6, HIS 6, SER 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol
  • 5OD · 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine

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