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 P08631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P08631	Download	Predicted	P08631_F1_nD3	Protein kinase/SAICAR synthase/ATP-grasp
1AD5		Predicted	e1ad5B1 e1ad5A1 e1ad5A2 e1ad5B2 e1ad5B3 e1ad5A3
1BU1		Predicted	e1bu1B1 e1bu1C1 e1bu1E1 e1bu1F1 e1bu1A1 e1bu1D1
1QCF		Predicted	e1qcfA1 e1qcfA2 e1qcfA3
2C0I		Predicted	e2c0iA1 e2c0iB1 e2c0iA2 e2c0iB2 e2c0iA3 e2c0iB3
2C0O		Predicted	e2c0oA1 e2c0oB1 e2c0oA2 e2c0oB2 e2c0oA3 e2c0oB3
2C0T		Predicted	e2c0tB1 e2c0tA3 e2c0tB2 e2c0tA2 e2c0tB3 e2c0tA1
2HCK		Predicted	e2hckA1 e2hckB1 e2hckA2 e2hckB2 e2hckB3 e2hckA3
2HK5		Predicted	e2hk5A1
2OI3		Predicted	e2oi3A2
2OJ2		Predicted	e2oj2A2
3HCK		Predicted	e3hckA1
3NHN		Predicted	e3nhnA1 e3nhnA2
3RBB		Predicted	e3rbbB1 e3rbbD1
3REA		Predicted	e3reaB1 e3reaD1
3REB		Predicted	e3rebB1 e3rebD1
3VRY		Predicted	e3vryA1 e3vryB1 e3vryB2 e3vryA2 e3vryB3 e3vryA3
3VRZ		Predicted	e3vrzA1 e3vrzB1 e3vrzA2 e3vrzB2 e3vrzA3 e3vrzB3
3VS0		Predicted	e3vs0A1 e3vs0B1 e3vs0A2 e3vs0B2 e3vs0A3 e3vs0B3
3VS1		Predicted	e3vs1B1 e3vs1A6 e3vs1B2 e3vs1A5 e3vs1B3 e3vs1A4
3VS2		Predicted	e3vs2B1 e3vs2A1 e3vs2B2 e3vs2A2 e3vs2B3 e3vs2A3
3VS3		Predicted	e3vs3B1 e3vs3A1 e3vs3B2 e3vs3A2 e3vs3B3 e3vs3A3
3VS4		Predicted	e3vs4A1 e3vs4B1 e3vs4A2 e3vs4B2 e3vs4A3 e3vs4B3
3VS5		Predicted	e3vs5B1 e3vs5A1 e3vs5B2 e3vs5A2 e3vs5B3 e3vs5A3
3VS6		Predicted	e3vs6A1 e3vs6B1 e3vs6A2 e3vs6B2 e3vs6A3 e3vs6B3
3VS7		Predicted	e3vs7B1 e3vs7A1 e3vs7B2 e3vs7A2 e3vs7B3 e3vs7A3
4HCK		Predicted	e4hckA1
4LUD		Predicted	e4ludA3 e4ludB5 e4ludA2 e4ludB4 e4ludA1 e4ludB1
4LUE		Predicted	e4lueA3 e4lueB3 e4lueA5 e4lueB2 e4lueA4 e4lueB1
4ORZ		Predicted	e4orzA1
4U5W		Predicted	e4u5wB2 e4u5wD2 e4u5wB1 e4u5wD1
5H09		Predicted	e5h09A2 e5h09A3 e5h09A1
5H0B		Predicted	e5h0bA2 e5h0bA1 e5h0bA3
5H0E		Predicted	e5h0eA2 e5h0eA1 e5h0eA3
5H0G		Predicted	e5h0gA2 e5h0gA3 e5h0gA1
5H0H		Predicted	e5h0hA2 e5h0hA1 e5h0hA3
5HCK		Predicted	e5hckA1
5NUH		Predicted	e5nuhC1 e5nuhD1
5ZJ6		Predicted	e5zj6A1 e5zj6B1