PDB ligand accession: VVX
DrugBank: DB16253
PubChem:
ChEMBL:
InChI Key: MCIDWGZGWVSZMK-UHFFFAOYSA-N
SMILES: CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6
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 |
---|---|---|---|---|---|
5AE8 | Download | Experimental | e5ae8A4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |