PDB ligand accession: 8EF
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YBJKPSYOFQHZDJ-NSHDSACASA-N
SMILES: Cc1ncc(c(n1)N)CN2CSC(C2=C)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 |
---|---|---|---|---|---|
5XRV | Download | Experimental | e5xrvA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
5XTV | Download | Experimental | e5xtvA1 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |