PDB ligand accession: HLS
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VDAMWMOTTUWVPR-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6E22 | Download | Experimental | e6e22A1 e6e22B1 | beta-propeller-like beta-propeller-like | LigPlot |