PDB ligand accession: P6U
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XKONRMXLBXCJAM-AWEZNQCLSA-N
SMILES: CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5T1U | Download | Experimental | e5t1uA1 e5t1uA2 | cradle loop barrel cradle loop barrel | LigPlot |