PDB ligand accession: TZD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZGJUYGIRPQSCFA-UHFFFAOYSA-N
SMILES: Cc1ncc(c(n1)N)CN2C(=C(SC2=O)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 |
|---|---|---|---|---|---|
| 4JD5 | Download | Experimental | e4jd5A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4K9L | Download | Experimental | e4k9lA4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1PI3 | Download | Experimental | e1pi3A3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JUA | Download | Experimental | e4juaA4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4K9N | Download | Experimental | e4k9nA2 e4k9nA3 e4k9nC3 e4k9nD3 e4k9nB2 e4k9nA2 e4k9nA3 e4k9nC2 e4k9nD2 e4k9nB3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4MPP | Download | Experimental | e4mppA2 e4mppA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1PO7 | Download | Experimental | e1po7A3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GM4 | Download | Experimental | e4gm4A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1Q6Z | Download | Experimental | e1q6zA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GM1 | Download | Experimental | e4gm1A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JU8 | Download | Experimental | e4ju8A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YNO | Download | Experimental | e1ynoA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GPE | Download | Experimental | e4gpeA4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GG1 | Download | Experimental | e4gg1A3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4QEL | Download | Experimental | e4qelA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GP9 | Download | Experimental | e4gp9A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 2FN3 | Download | Experimental | e2fn3A3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JU9 | Download | Experimental | e4ju9A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JUD | Download | Experimental | e4judX4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4MZX | Download | Experimental | e4mzxA1 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5DGT | Download | Experimental | e5dgtA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4GM0 | Download | Experimental | e4gm0A4 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |