PDB ligand accession: L17
DrugBank: DB04722
PubChem: n/a
ChEMBL: n/a
InChI Key: ISTCYDGUBPNUDF-CQSZACIVSA-N
SMILES: CC(c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Aminopyridines and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Z71 | Download | Experimental | e1z71A1 | cradle loop barrel | LigPlot |