Ligand name: 10-Propargyl-5,8-Dideazafolic Acid
PDB ligand accession: CB3
DrugBank: DB03541
InChI Key: LTKHPMDRMUCUEB-IBGZPJMESA-N
SMILES: C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P04818

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P04818	Download	Predicted	P04818_F1_nD1	Thymidylate synthase/dCMP hydroxymethylase
1HVY		Predicted	e1hvyA1 e1hvyB1 e1hvyC1 e1hvyD1
1HW3		Predicted	e1hw3A1
1HW4		Predicted	e1hw4A1
1HZW		Predicted	e1hzwA1 e1hzwB1
1I00		Predicted	e1i00A1 e1i00B1
1JU6		Predicted	e1ju6A1 e1ju6B1 e1ju6C1 e1ju6D1
1JUJ		Predicted	e1jujA1 e1jujB1 e1jujC1 e1jujD1
1YPV		Predicted	e1ypvA1
2ONB		Predicted	e2onbA1
2RD8		Predicted	e2rd8A1 e2rd8B1
2RDA		Predicted	e2rdaA1 e2rdaB1 e2rdaC1 e2rdaD1 e2rdaE1 e2rdaF1
3EAW		Predicted	e3eawX1
3EBU		Predicted	e3ebuA1
3ED7		Predicted	e3ed7A1
3EDW		Predicted	e3edwX1
3EF9		Predicted	e3ef9A1
3EGY		Predicted	e3egyX1
3EHI		Predicted	e3ehiX1
3EJL		Predicted	e3ejlA1 e3ejlB1 e3ejlC1 e3ejlD1
3GG5		Predicted	e3gg5A1 e3gg5B1 e3gg5C1 e3gg5D1
3GH0		Predicted	e3gh0A1
3GH2		Predicted	e3gh2X1
3H9K		Predicted	e3h9kA1 e3h9kB1 e3h9kC1 e3h9kD1 e3h9kE1
3HB8		Predicted	e3hb8A1 e3hb8B1 e3hb8C1 e3hb8D1 e3hb8E1
3N5E		Predicted	e3n5eA1 e3n5eB1
3N5G		Predicted	e3n5gA1
3OB7		Predicted	e3ob7A1 e3ob7B1 e3ob7C1 e3ob7D1 e3ob7E1
4E28		Predicted	e4e28A1
4FGT		Predicted	e4fgtA1
4G2O		Predicted	e4g2oX1
4G6W		Predicted	e4g6wX1
4GD7		Predicted	e4gd7A1
4GYH		Predicted	e4gyhA1
4H1I		Predicted	e4h1iA1 e4h1iB1 e4h1iC1 e4h1iD1
4JEF		Predicted	e4jefA1
4KPW		Predicted	e4kpwA1
4O1U		Predicted	e4o1uA1 e4o1uB1
4O1X		Predicted	e4o1xA1 e4o1xB1 e4o1xC1 e4o1xD1
4UP1		Predicted	e4up1A1 e4up1B1 e4up1C1 e4up1D1
5HS3		Predicted	e5hs3A1 e5hs3B1 e5hs3C1 e5hs3D1 e5hs3E1 e5hs3F1
5WRN		Predicted	e5wrnB1 e5wrnA1 e5wrnC1 e5wrnD1 e5wrnE1 e5wrnF1
5X4W		Predicted	e5x4wA1
5X4X		Predicted	e5x4xA1
5X4Y		Predicted	e5x4yA1
5X5A		Predicted	e5x5aA1 e5x5aB1 e5x5aC1 e5x5aD1 e5x5aE1 e5x5aF1
5X5D		Predicted	e5x5dA1 e5x5dB1 e5x5dC1 e5x5dE1 e5x5dF1 e5x5dD1
5X5Q		Predicted	e5x5qA1 e5x5qB1 e5x5qC1 e5x5qD1 e5x5qE1 e5x5qF1
5X66		Predicted	e5x66A1 e5x66B1 e5x66C1 e5x66D1 e5x66E1 e5x66F1
5X67		Predicted	e5x67A1 e5x67B1
5X69		Predicted	e5x69A1 e5x69B1 e5x69C1 e5x69E1 e5x69F1 e5x69D1
6OJU		Predicted	e6ojuB1 e6ojuA1 e6ojuC1 e6ojuD1
6OJV		Predicted	e6ojvB1 e6ojvA1 e6ojvC1 e6ojvD1
6PF3		Predicted	e6pf3A1 e6pf3B1 e6pf3C1 e6pf3D1
6PF4		Predicted	e6pf4B1 e6pf4A1 e6pf4C1 e6pf4D1
6PF5		Predicted	e6pf5A1 e6pf5B1 e6pf5C1 e6pf5D1
6PF6		Predicted	e6pf6B1 e6pf6A1 e6pf6D1 e6pf6C1
6QXG		Predicted	e6qxgA1 e6qxgC1 e6qxgB1
6QXH		Predicted	e6qxhA1 e6qxhB1 e6qxhC1
6QYQ		Predicted	e6qyqD1 e6qyqC1 e6qyqB1 e6qyqA1
6R2E		Predicted	e6r2eB1 e6r2eA1 e6r2eC1 e6r2eD1 e6r2eF1 e6r2eH1 e6r2eE1 e6r2eG1