Ligand name: Pemetrexed
PDB ligand accession: LYA
DrugBank: DB00642
InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
SMILES: c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P22102

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P22102	Download	Predicted	P22102_F1_nD1 P22102_F1_nD6 P22102_F1_nD5 P22102_F1_nD4 P22102_F1_nD2	Rossmann-like Formyltransferase Alpha-beta plaits Bacillus chorismate mutase-like Protein kinase/SAICAR synthase/ATP-grasp
1MEJ		Predicted	e1mejB1 e1mejC1 e1mejA1
1MEN		Predicted	e1menC1 e1menA1 e1menB1
1MEO		Predicted	e1meoA1
1NJS		Predicted	e1njsA1 e1njsB1
1RBM		Predicted	e1rbmB1 e1rbmA1
1RBQ		Predicted	e1rbqC1 e1rbqA1 e1rbqB1 e1rbqD1
1RBY		Predicted	e1rbyA1 e1rbyC1 e1rbyB1 e1rbyD1
1RBZ		Predicted	e1rbzA1 e1rbzB1
1RC0		Predicted	e1rc0A1 e1rc0B1
1RC1		Predicted	e1rc1A1 e1rc1B1
1ZLX		Predicted	e1zlxA1
1ZLY		Predicted	e1zlyA1
2QK4		Predicted	e2qk4A1 e2qk4B1 e2qk4A3 e2qk4B2 e2qk4A2 e2qk4B3
2V9Y		Predicted	e2v9yA3 e2v9yB3 e2v9yA4 e2v9yB4
4EW1		Predicted	e4ew1A1
4EW2		Predicted	e4ew2A1
4EW3		Predicted	e4ew3A1
4ZYT		Predicted	e4zytA1
4ZYU		Predicted	e4zyuA1
4ZYV		Predicted	e4zyvA1
4ZYW		Predicted	e4zywA1
4ZYX		Predicted	e4zyxA1
4ZYY		Predicted	e4zyyA1
4ZYZ		Predicted	e4zyzA1
4ZZ0		Predicted	e4zz0A1
4ZZ1		Predicted	e4zz1A1
4ZZ2		Predicted	e4zz2A1
4ZZ3		Predicted	e4zz3A1
5J9F		Predicted	e5j9fA1