Ligand name: (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
PDB ligand accession: VKS
DrugBank: DB19137
PubChem: 118238370
ChEMBL: CHEMBL4650521
InChI Key: UCJZOKGUEJUNIO-IINYFYTJSA-N
SMILES: CC1C(C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q06124

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JVM	Download	Experimental	e7jvmA1 e7jvmA2 e7jvmA3 e7jvmB1 e7jvmB2 e7jvmB3	Flavodoxin-like SH2 SH2 SH2 SH2 Flavodoxin-like	LigPlot