PDB ligand accession: HUP
DrugBank: DB04864
PubChem:
ChEMBL:
InChI Key: ZRJBHWIHUMBLCN-YQEJDHNASA-N
SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinolones and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4EY5 | Download | Experimental | e4ey5A1 e4ey5B1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |