PDB ligand accession: 3E8
DrugBank: DB15133
InChI Key: AHYMHWXQRWRBKT-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyridazines and derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q9Y2I1 | Download | Predicted | Q9Y2I1_F1_nD4 Q9Y2I1_F1_nD2 | PH domain-like Single-stranded right-handed beta-helix |
3P0C | Predicted | e3p0cA1 e3p0cB1 |