PDB ligand accession: OKO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NLUPPCTVKHDVIQ-GASCZTMLSA-N
SMILES: CC1CN(CC(O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C
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 |
---|---|---|---|---|---|
5AE9 | Download | Experimental | e5ae9A3 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |