Ligand name: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one
PDB ligand accession: 6Q1
DrugBank: n/a
PubChem: 89495765
ChEMBL: n/a
InChI Key: RYOJEPUQWYYQQK-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q12866

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5K0K	Download	Experimental	e5k0kA1 e5k0kB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot