Ligand name: Ponatinib
PDB ligand accession: 0LI
DrugBank: DB08901
InChI Key: PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P06239

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P06239	Download	Predicted	P06239_F1_nD3	Protein kinase/SAICAR synthase/ATP-grasp
1BHF		Predicted	e1bhfA1
1BHH		Predicted	e1bhhA1 e1bhhB1
1CWD		Predicted	e1cwdL1
1CWE		Predicted	e1cweA1 e1cweC1
1FBZ		Predicted	e1fbzA1 e1fbzB1
1H92		Predicted	e1h92A1
1IJR		Predicted	e1ijrA1
1KIK		Predicted	e1kikA1
1LCJ		Predicted	e1lcjA1
1LCK		Predicted	e1lckA1 e1lckA2
1LKK		Predicted	e1lkkA1
1LKL		Predicted	e1lklA1
1QPC		Predicted	e1qpcA1
1QPD		Predicted	e1qpdA1
1QPE		Predicted	e1qpeA1
1QPJ		Predicted	e1qpjA1
1X27		Predicted	e1x27B1 e1x27E1 e1x27D1 e1x27A1 e1x27F1 e1x27C1 e1x27A2 e1x27D2 e1x27B2 e1x27F2 e1x27E2 e1x27C2
2IIM		Predicted	e2iimA1
2OF2		Predicted	e2of2A1
2OF4		Predicted	e2of4A1
2OFU		Predicted	e2ofuA1
2OFV		Predicted	e2ofvB1 e2ofvA1
2OG8		Predicted	e2og8B1 e2og8A1
2PL0		Predicted	e2pl0A1
2ZM1		Predicted	e2zm1A1
2ZM4		Predicted	e2zm4A1
2ZYB		Predicted	e2zybA1
3AC1		Predicted	e3ac1A1
3AC2		Predicted	e3ac2A1
3AC3		Predicted	e3ac3A1
3AC4		Predicted	e3ac4A1
3AC5		Predicted	e3ac5A1
3AC8		Predicted	e3ac8A1
3ACJ		Predicted	e3acjA1
3ACK		Predicted	e3ackA1
3AD4		Predicted	e3ad4A1
3AD5		Predicted	e3ad5A1
3AD6		Predicted	e3ad6A1
3B2W		Predicted	e3b2wA1
3BYM		Predicted	e3bymA1
3BYO		Predicted	e3byoA1
3BYS		Predicted	e3bysA1
3BYU		Predicted	e3byuA1
3KMM		Predicted	e3kmmA1
3KXZ		Predicted	e3kxzA1
3LCK		Predicted	e3lckA1
3MPM		Predicted	e3mpmA1
4C3F		Predicted	e4c3fA1
4D8K		Predicted	e4d8kA4 e4d8kA3
5MTM		Predicted	e5mtmA1
5MTN		Predicted	e5mtnA1
6PDJ		Predicted	e6pdjA1