PDB ligand accession: DCM
DrugBank: DB03798
PubChem:
ChEMBL:
InChI Key: NCMVOABPESMRCP-SHYZEUOFSA-N
SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Pyrimidine nucleotides
- Subclass: Pyrimidine deoxyribonucleotides
- Class: Pyrimidine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1B5E | Download | Experimental | e1b5eB1 e1b5eA1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
6A9A | Download | Experimental | e6a9aA1 | Thymidylate synthase/dCMP hydroxymethylase | LigPlot |
1B5D | Download | Experimental | e1b5dA1 e1b5dB1 | Thymidylate synthase/dCMP hydroxymethylase Thymidylate synthase/dCMP hydroxymethylase | LigPlot |