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Ligand · 5OD

5OD · 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine

5OD, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine (C16 H19 Cl2 N5, 352.3 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5…

Component
5OD
Formula
C16 H19 Cl2 N5
Class
ligand
Structures
7
PDB entries
6

Binding sites

5OD in 7 structures; the first of them:

  • 6BMW · Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors… · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 8 more
  • 6BMU · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitors… · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 7 more
  • 6BMW · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitors… · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 7 more
  • 6BMY · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitors… · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 7 more
  • 6CMR · Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 7 more
  • 6CMS · Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 7 more
  • 6CRG · Crystal structure of SHP2 E76K gof mutant in complex with SHP099 · 5OD A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, THR218, THR219, GLU249 and 8 more

Residues it binds most

THR 12, GLU 12, GLN 12, ARG 12, HIS 12, LEU 12, LYS 12, PHE 12, PRO 12, ASP 3 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • PO4 · Phosphate ion
  • DZS · 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2, 4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid
  • 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
  • DZV · 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
  • SO4 · Sulfate ion

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