PDB ligand accession: LE8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XMNGPECGUKASMW-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C#N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7U5Z | Download | Experimental | e7u5zA2 e7u5zA3 e7u5zB2 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |