PDB ligand accession: RX8
DrugBank: DB06530
PubChem:
ChEMBL:
InChI Key: BXNMTOQRYBFHNZ-UHFFFAOYSA-N
SMILES: CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Imidazoquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3W3M | Download | Experimental | e3w3mA6 | Single-stranded right-handed beta-helix | LigPlot |
3W3L | Download | Experimental | e3w3lB5 e3w3lC6 e3w3lB6 e3w3lC5 e3w3lA5 e3w3lD6 | Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix | LigPlot |
3W3N | Download | Experimental | e3w3nA5 e3w3nB1 e3w3nA6 e3w3nB2 | Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix | LigPlot |