PDB ligand accession: 7CP
DrugBank: DB07242
PubChem:
ChEMBL: n/a
InChI Key: XGUIMGJMQKZRGM-LLVKDONJSA-N
SMILES: Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4(C3C#N)CCN(CC4)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Pyridoindoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3BHY | Download | Experimental | e3bhyA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |