PDB ligand accession: TH4
DrugBank: DB08620
InChI Key: HOKKPVIRMVDYPB-UVTDQMKNSA-N
SMILES: c1cc(ncc1CN2CCSC2=NC#N)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 |
---|---|---|---|---|
Q494W8 | Download | Predicted | Q494W8_F1_nD1 | Immunoglobulin-like beta-sandwich |