PDB ligand accession: 0P8
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YDCWHIAOHSUPCM-UHFFFAOYSA-N
SMILES: COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Hydroquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4EGA | Download | Experimental | e4egaB2 | HUP domain-like | LigPlot |