PDB ligand accession: BRU
DrugBank: DB01903
PubChem:
ChEMBL:
InChI Key: LHLHVDBXXZVYJT-RRKCRQDMSA-N
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Br)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 |
---|---|---|---|---|---|
4P5B | Download | Experimental | e4p5bA1 e4p5bB1 e4p5bC1 e4p5bD1 | Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 | LigPlot |