Ligand name: Bosutinib
PDB ligand accession: DB8
DrugBank: DB06616
InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q13555

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q13555	Download	Predicted	Q13555_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
2UX0		Predicted	e2ux0A1 e2ux0B1 e2ux0C1 e2ux0D1 e2ux0F1 e2ux0E1
2V7O		Predicted	e2v7oA1