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Ligand · VKS

VKS · (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl) sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

VKS, (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl) sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (C18 H24 Cl N7 O S, 421.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VKS
Formula
C18 H24 Cl N7 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VKS in 2 structures; the first of them:

  • 7JVM · Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155 · VKS A601 · binds THR108, SER109, GLU110, ARG111, PHE113, HIS114, ASN217, THR218 and 11 more
  • 7JVM · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitor TNO155 · VKS A601 · binds THR108, GLU110, ARG111, PHE113, HIS114, ASN217, THR218, THR219 and 9 more

Residues it binds most

THR 4, GLU 4, GLN 4, ARG 4, ASN 4, ASP 4, HIS 4, LEU 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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