PDB ligand accession: NR9
DrugBank: n/a
PubChem: 11631681;135400873;
ChEMBL:
InChI Key: XOLMRFUGOINFDQ-YBEGLDIGSA-N
SMILES: c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cccs4
Drug action: n/a
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 |
---|---|---|---|---|---|
3NR9 | Download | Experimental | e3nr9A1 e3nr9B1 e3nr9C1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |