PDB ligand accession: KTQ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YJYNKUFASFWVSL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6S2K | Download | Experimental | e6s2kB1 | Repetitive alpha hairpins | LigPlot |