PDB ligand accession: HYZ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: IMHOFYWDXRUQBM-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5
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 |
---|---|---|---|---|---|
2RGP | Download | Experimental | e2rgpA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |