PDB ligand accession: 1NE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UDKLBQULCJTEOC-UHFFFAOYSA-N
SMILES: CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2XX8 | Download | Experimental | e2xx8A1 e2xx8A2 e2xx8C1 e2xx8C2 e2xx8B1 e2xx8B2 | Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II | LigPlot |