PDB ligand accession: ET
DrugBank: DB17031
PubChem: 3624;101633772;
ChEMBL:
InChI Key: QTANTQQOYSUMLC-UHFFFAOYSA-O
SMILES: CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Phenylquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7KGG | Download | Experimental | e7kggC2 e7kggC7 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
7KGI | Download | Experimental | e7kgiA2 e7kgiA4 e7kgiA7 e7kgiC1 e7kgiC3 e7kgiC4 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
7KGH | Download | Experimental | e7kghC5 e7kghC8 | Alpha-beta plaits Alpha-beta plaits | LigPlot |