Ligand name: 4S/3694
PDB ligand accession: Q55
DrugBank: n/a
PubChem: 130268676
ChEMBL: n/a
InChI Key: PTVSCHCHSJTBBB-NRFANRHFSA-N
SMILES: CC1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolines

List of PDB structures and/or AlphaFold models with target protein Q99558

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Z1T	Download	Experimental	e6z1tAAA1 e6z1tBBB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot