PDB ligand accession: 6WE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XCTPNVXKKHOANI-BBRMVZONSA-N
SMILES: Cc1c(c(on1)C)C2CC(N=C(S2)N)(C)c3ccc(cc3F)F
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 |
---|---|---|---|---|---|
5KR8 | Download | Experimental | e5kr8A1 e5kr8A2 | cradle loop barrel cradle loop barrel | LigPlot |