PDB ligand accession: EMH
DrugBank: DB11363
PubChem:
ChEMBL:
InChI Key: KDGFLJKFZUIJMX-UHFFFAOYSA-N
SMILES: CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Carbazoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3AOX | Download | Experimental | e3aoxA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |