PDB ligand accession: N1Y
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ALNDHUQPXHHNON-JXMROGBWSA-N
SMILES: c1cc(ncc1CN2CCNC2=C[N+](=O)[O-])Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Halopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3WTM | Download | Experimental | e3wtmA1 e3wtmE1 e3wtmA1 e3wtmB1 e3wtmB1 e3wtmC1 e3wtmC1 e3wtmD1 e3wtmD1 e3wtmE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
3WTL | Download | Experimental | e3wtlA1 e3wtlB1 e3wtlB1 e3wtlC1 e3wtlC1 e3wtlD1 e3wtlD1 e3wtlE1 e3wtlA1 e3wtlE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |