Ligand name: Pralsetinib
PDB ligand accession: Q4J
DrugBank: DB15822
InChI Key: GBLBJPZSROAGMF-BATDWUPUSA-N
SMILES: Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)NC(C)c4ccc(nc4)n5cc(cn5)F)OC)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of PDB structures and/or AlphaFold models with target protein Q08345

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q08345	Download	Predicted	Q08345_F1_nD2 Q08345_F1_nD1 Q08345_F1_nD4	jelly-roll jelly-roll Protein kinase/SAICAR synthase/ATP-grasp
3ZOS		Predicted	e3zosB1 e3zosA2
4AG4		Predicted	e4ag4A3 e4ag4A4
4BKJ		Predicted	e4bkjB1 e4bkjA2
4CKR		Predicted	e4ckrA1
5BVK		Predicted	e5bvkA1
5BVN		Predicted	e5bvnA1
5BVO		Predicted	e5bvoA1
5BVW		Predicted	e5bvwA1
5FDP		Predicted	e5fdpA1
5FDX		Predicted	e5fdxA1 e5fdxB1
6BRJ		Predicted	e6brjA1
6BSD		Predicted	e6bsdA1
6FEW		Predicted	e6fewA1
6FEX		Predicted	e6fexA1
6FIL		Predicted	e6filA1
6FIN		Predicted	e6finA1
6FIO		Predicted	e6fioA1
6FIQ		Predicted	e6fiqA1
6GWR		Predicted	e6gwrA1 e6gwrB1
6HP9		Predicted	e6hp9A1 e6hp9B1