PDB ligand accession: 2X9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SGWFOCMKXJYHKO-UHFFFAOYSA-N
SMILES: Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiazoles
- Subclass: None
- Class: Benzothiazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4GCA | Download | Experimental | e4gcaA1 | TIM beta/alpha-barrel | LigPlot |