PDB ligand accession: 1BJ
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: DPTBYUQHDCZBPL-HDJSIYSDSA-N
SMILES: c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)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 |
---|---|---|---|---|---|
4HYS | Download | Experimental | e4hysA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |