PDB ligand accession: DAE
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: IMRRDTRILVVTCO-UHFFFAOYSA-J
SMILES: [Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1D1A | Download | Experimental | e1d1aA1 | P-loop domains-like | LigPlot |