PDB ligand accession: THA
DrugBank: DB00382
PubChem:
ChEMBL:
InChI Key: YLJREFDVOIBQDA-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c3c(n2)CCCC3)N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Benzoquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4BDS | Download | Experimental | e4bdsA1 | alpha/beta-Hydrolases | LigPlot |