PDB ligand accession: 3VO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CUNQNADGWRXYCV-SDBXPKJASA-N
SMILES: c1cc(c(cc1F)F)C23COCCC2CSC(=N3)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4WY1 | Download | Experimental | e4wy1A1 e4wy1A2 | cradle loop barrel cradle loop barrel | LigPlot |