PDB ligand accession: 3WP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JRYNZJXSUKTLGF-NSHDSACASA-N
SMILES: CC1(CCSC(=N1)N)c2ccc(cc2F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4X2L | Download | Experimental | e4x2lA1 e4x2lA2 | cradle loop barrel cradle loop barrel | LigPlot |