PDB ligand accession: THG
DrugBank: DB02031
PubChem: 5289465;5460413;135398650;
ChEMBL: n/a
InChI Key: MSTNYGQPCMXVAQ-RYUDHWBXSA-N
SMILES: c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pteridines and derivatives
- Subclass: Pterins and derivatives
- Class: Pteridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3BHR | Download | Experimental | e3bhrA1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
1KZI | Download | Experimental | e1kziA1 e1kziB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
3BHL | Download | Experimental | e3bhlA1 e3bhlB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |