PDB ligand accession: 6KD
DrugBank: n/a
PubChem: 121232428;135567181;
ChEMBL:
InChI Key: MJJJFOLDERHCND-UHFFFAOYSA-N
SMILES: CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5JGD | Download | Experimental | e5jgdA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |