Ligand name: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
PDB ligand accession: B7B
DrugBank: n/a
PubChem: 68034378
ChEMBL: CHEMBL3986079
InChI Key: VJDBYVPTQWPRPA-ZWKOTPCHSA-N
SMILES: CN1c2cnc(nc2N(C3CCCC3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrimidodiazepines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q13627

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EIP	Download	Experimental	e6eipA1 e6eipB1 e6eipC1 e6eipD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot