PDB ligand accession: TOG
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VGWJMSNWDAXPBE-UHFFFAOYSA-N
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)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 |
---|---|---|---|---|---|
6O0G | Download | Experimental | e6o0gA2 e6o0gA3 e6o0gD1 e6o0gD3 e6o0gB1 e6o0gC1 e6o0gC2 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
5ESS | Download | Experimental | e5essB2 e5essC2 e5essC4 e5essA2 e5essA3 e5essD2 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |