PDB ligand accession: E63
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: IDHDCLHNVFXALQ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrazoles
- Subclass: Indazoles
- Class: Benzopyrazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4FV8 | Download | Experimental | e4fv8A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |