PDB ligand accession: 6E2
DrugBank: DB12483
PubChem:
ChEMBL:
InChI Key: PZBCKZWLPGJMAO-UHFFFAOYSA-N
SMILES: COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5G2N | Download | Experimental | e5g2nA4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |