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 Q02750

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q02750	Download	Predicted	Q02750_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1S9J		Predicted	e1s9jA1
2P55		Predicted	e2p55A1
3DV3		Predicted	e3dv3A1
3DY7		Predicted	e3dy7A1
3E8N		Predicted	e3e8nA1
3EQB		Predicted	e3eqbA1
3EQC		Predicted	e3eqcA1
3EQD		Predicted	e3eqdA1
3EQF		Predicted	e3eqfA1
3EQG		Predicted	e3eqgA1
3EQH		Predicted	e3eqhA1
3EQI		Predicted	e3eqiA1
3MBL		Predicted	e3mblA1
3ORN		Predicted	e3ornA1
3OS3		Predicted	e3os3A1
3PP1		Predicted	e3pp1A1
3SLS		Predicted	e3slsA1 e3slsB1
3V01		Predicted	e3v01A1
3V04		Predicted	e3v04A2
3VVH		Predicted	e3vvhA1 e3vvhB1 e3vvhC1
3W8Q		Predicted	e3w8qA2
3WIG		Predicted	e3wigA1
3ZLS		Predicted	e3zlsA1
3ZLW		Predicted	e3zlwA2
3ZLX		Predicted	e3zlxA2
3ZLY		Predicted	e3zlyA2
3ZM4		Predicted	e3zm4A2
4AN2		Predicted	e4an2A1
4AN3		Predicted	e4an3A1
4AN9		Predicted	e4an9A1
4ANB		Predicted	e4anbA1
4ARK		Predicted	e4arkA1
4LMN		Predicted	e4lmnA1
4MNE		Predicted	e4mneA1 e4mneD1 e4mneE1 e4mneH1
4U7Z		Predicted	e4u7zA1
4U80		Predicted	e4u80A1
4U81		Predicted	e4u81A1
5BX0		Predicted	e5bx0A1
5EYM		Predicted	e5eymA1 e5eymB1
5HZE		Predicted	e5hzeA1
5YT3		Predicted	e5yt3A1 e5yt3D1 e5yt3B1 e5yt3C1
6NYB		Predicted	e6nybB1
6PP9		Predicted	e6pp9B1
6Q0J		Predicted	e6q0jC1 e6q0jD1
6Q0T		Predicted	e6q0tC1
6U2G		Predicted	e6u2gA1