PDB ligand accession: THF
DrugBank: DB02800
PubChem: 5289464;6323516;135403828;
ChEMBL: n/a
InChI Key: IIEPLRAFVCMHQF-STQMWFEESA-N
SMILES: c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2CO)C(=O)N=C(N3)N
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 |
---|---|---|---|---|---|
4O7U | Download | Experimental | e4o7uB1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |