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Ligand · 83Q

83Q · 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine

83Q, 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine (C17 H21 Cl2 N5 S, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
83Q
Formula
C17 H21 Cl2 N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

83Q in 2 structures; the first of them:

  • 7VXG · Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453 · 83Q A601 · binds THR108, SER109, GLU110, ARG111, PHE113, HIS114, ASN217, THR218 and 10 more
  • 7VXG · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitor tk-453 · 83Q A601 · binds THR108, SER109, GLU110, ARG111, PHE113, HIS114, THR218, THR219 and 9 more

Residues it binds most

THR 8, GLU 8, GLN 8, PRO 8, ARG 8, HIS 8, LEU 8, LYS 8, PHE 8, ASP 7 (residue and the binding sites it lines).

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