PDB ligand accession: 8EO
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FAOXQWUECSMMCY-NSHDSACASA-O
SMILES: Cc1ncc(c(n1)N)C[N+]2=C(C(SC2)CCOP(=O)(O)OP(=O)(O)O)C
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 |
---|---|---|---|---|---|
5XSM | Download | Experimental | e5xsmA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |