PDB ligand accession: HB2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GITVQUOQRHRGQQ-UHFFFAOYSA-N
SMILES: CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
Drug action: n/a
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 |
---|---|---|---|---|---|
4R6A | Download | Experimental | e4r6aA1 e4r6aB1 e4r6aA2 e4r6aB2 | 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 |