PDB ligand accession: RDS
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YBCXWCRIGXVZRG-SECBINFHSA-N
SMILES: CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5EBK | Download | Experimental | e5ebkA2 e5ebkB3 | Rossmann-like Rossmann-like | LigPlot |