PDB ligand accession: XZN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YCLIWTLPTXAGPQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl
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 |
---|---|---|---|---|---|
5VCZ | Download | Experimental | e5vczA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |