PDB ligand accession: TOL
DrugBank: DB02383
InChI Key: LUBHDINQXIHVLS-UHFFFAOYSA-N
SMILES: CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P14550 | Download | Predicted | P14550_F1_nD1 | TIM beta/alpha-barrel |
2ALR | Predicted | e2alrA1 |