PDB ligand accession: C86
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JRPAQOLQALFUAQ-GUYCJALGSA-N
SMILES: CC1(CC(SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JT4 | Download | Experimental | e6jt4A1 e6jt4A2 | cradle loop barrel cradle loop barrel | LigPlot |