PDB ligand accession: BIA
DrugBank: DB03336
PubChem:
ChEMBL:
InChI Key: KVIVJQWOYSWCCZ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1H1D | Download | Experimental | e1h1dA1 | Rossmann-like | LigPlot |