PDB ligand accession: R9P
DrugBank: n/a
PubChem: 57899641;135566646;
ChEMBL:
InChI Key: RUIXFIILMZVAAF-UHFFFAOYSA-N
SMILES: c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzofurans
- Subclass: None
- Class: Benzofurans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ALV | Download | Experimental | e4alvA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |