PDB ligand accession: W74
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OMXOEMCOOCDBTO-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3W74 | Download | Experimental | e3w74A1 e3w74B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |