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 P36888

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P36888	Download	Predicted	P36888_F1_nD7 P36888_F1_nD6	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp
1RJB		Predicted	e1rjbA1
3QS7		Predicted	e3qs7E1 e3qs7F1 e3qs7G5 e3qs7H1 e3qs7E4 e3qs7F4 e3qs7G6 e3qs7H3 e3qs7E3 e3qs7F3 e3qs7E2 e3qs7F2 e3qs7H2
3QS9		Predicted	e3qs9G5 e3qs9H5 e3qs9E5 e3qs9F4 e3qs9E4 e3qs9F2 e3qs9G2 e3qs9H2 e3qs9E3 e3qs9F3 e3qs9G4 e3qs9H4 e3qs9E2 e3qs9G3 e3qs9H3 e3qs9G1 e3qs9H1 e3qs9E1 e3qs9F1
4RT7		Predicted	e4rt7A1
4XUF		Predicted	e4xufA1 e4xufB1
5X02		Predicted	e5x02A1
6JQR		Predicted	e6jqrA1