PDB ligand accession: DDF
DrugBank: DB12769
PubChem: 148138;5288038;135413518;
ChEMBL:
InChI Key: ZUQBAQVRAURMCL-DOMZBBRYSA-N
SMILES: c1cc(ccc1CCC2CC3=C(NC2)NC(=NC3=O)N)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
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5CCC | Download | Experimental | e5cccA1 | Dihydrofolate reductases | LigPlot |
5CC9 | Download | Experimental | e5cc9A1 | Dihydrofolate reductases | LigPlot |