Ligand name: 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL
PDB ligand accession: B4W
DrugBank: n/a
PubChem: 135566381
ChEMBL: CHEMBL1231179
InChI Key: XVURFLCQTYKQLW-LBPRGKRZSA-N
SMILES: c1ccc2c(c1)c(nc(n2)c3ccccc3O)NC4CCNC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O96017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XM8	Download	Experimental	e2xm8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot