PDB ligand accession: JKW
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: IOLWBWFVDOMCKD-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6QXK | Download | Experimental | e6qxkB1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |