PDB ligand accession: 8EL
DrugBank: n/a
PubChem: 444421;163128226;
ChEMBL: n/a
InChI Key: FCUXBJDJFWOWMD-UHFFFAOYSA-N
SMILES: Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organic oxoanionic compounds
- Subclass: Organic pyrophosphates
- Class: Organic oxoanionic compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8CI0 | Download | Experimental | e8ci0CCC2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |