PDB ligand accession: 1HO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OIFTUNMTFHXWBX-QGZVFWFLSA-N
SMILES: c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(C(COC(=N3)N)(F)F)CF)F
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 |
---|---|---|---|---|---|
4J1C | Download | Experimental | e4j1cA2 e4j1cA3 | cradle loop barrel cradle loop barrel | LigPlot |