PDB ligand accession: PY1
DrugBank: DB03921
PubChem:
ChEMBL:
InChI Key: IBCXZJCWDGCXQT-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: None
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1PY5 | Download | Experimental | e1py5A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |