PDB ligand accession: VMS
DrugBank: n/a
PubChem: 5289556;44576562;
ChEMBL:
InChI Key: TXCZGHBHNXNXMA-CYUGOOACSA-N
SMILES: CC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleosides
- Subclass: None
- Class: Purine nucleosides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1WK8 | Download | Experimental | e1wk8B1 | cradle loop barrel | LigPlot |