PDB ligand accession: HUX
DrugBank: DB04114
PubChem:
ChEMBL:
InChI Key: QTPHSDHUHXUYFE-NWDGAFQWSA-N
SMILES: CCC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)N)C(C2)C1
Drug action: n/a
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 |
---|---|---|---|---|---|
1E66 | Download | Experimental | e1e66A1 | alpha/beta-Hydrolases | LigPlot |