PDB ligand accession: LL1
DrugBank: DB08113
PubChem:
ChEMBL:
InChI Key: MSRXUUDVRNWSTN-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(n[nH]2)c3ccncc3
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 |
---|---|---|---|---|---|
3DNE | Download | Experimental | e3dneA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |