PDB ligand accession: OE1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PFITZESRTBQCHT-UHFFFAOYSA-N
SMILES: CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: Phenylbenzimidazoles
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5ALF | Download | Experimental | e5alfA2 | alpha/beta-Hydrolases | LigPlot |