PDB ligand accession: TPP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 1MCZ | Download | Experimental | e1mczA2 e1mczB2 e1mczA3 e1mczA2 e1mczA3 e1mczB3 e1mczD2 e1mczC3 e1mczC2 e1mczD3 e1mczF2 e1mczE3 e1mczE2 e1mczF3 e1mczH2 e1mczG3 e1mczG2 e1mczH3 e1mczJ2 e1mczI3 e1mczI2 e1mczJ3 e1mczL2 e1mczK3 e1mczK2 e1mczL3 e1mczN2 e1mczM3 e1mczN3 e1mczM2 e1mczN2 e1mczN3 e1mczO2 e1mczP2 e1mczO3 e1mczP3 e1mczO2 e1mczP3 | 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) 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) 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) 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 |
| 6M2Z | Download | Experimental | e6m2zA1 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4K9M | Download | Experimental | e4k9mA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JUF | Download | Experimental | e4jufC3 e4jufA2 e4jufA3 e4jufB2 e4jufD3 e4jufC2 e4jufA2 e4jufA3 e4jufB3 e4jufD2 | 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 |
| 4JUB | Download | Experimental | e4jubA4 e4jubA5 e4jubD5 e4jubB4 e4jubC5 e4jubB5 e4jubC4 e4jubA4 e4jubA5 e4jubD4 | 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 |
| 5DEI | Download | Experimental | e5deiA1 e5deiA2 e5deiC1 e5deiB1 e5deiD1 e5deiA1 e5deiA2 e5deiC3 e5deiB2 e5deiD3 | 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 |
| 2V3W | Download | Experimental | e2v3wA2 e2v3wC2 e2v3wA3 e2v3wD2 e2v3wB3 e2v3wA2 e2v3wA3 e2v3wC3 e2v3wB2 e2v3wD3 | 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 |
| 4MQ5 | Download | Experimental | e4mq5A1 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5DGD | Download | Experimental | e5dgdA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4K9K | Download | Experimental | e4k9kA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 6M2Y | Download | Experimental | e6m2yA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4MPJ | Download | Experimental | e4mpjA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4K9P | Download | Experimental | e4k9pA2 e4k9pA3 e4k9pC3 e4k9pD3 e4k9pB2 e4k9pA2 e4k9pC2 e4k9pD2 e4k9pB3 | 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 |
| 4K9O | Download | Experimental | e4k9oC3 e4k9oA2 e4k9oA3 e4k9oD3 e4k9oB2 e4k9oC2 e4k9oA2 e4k9oA3 e4k9oD2 e4k9oB3 | 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 |
| 4MPR | Download | Experimental | e4mprA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 2FWN | Download | Experimental | e2fwnA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1BFD | Download | Experimental | e1bfdA3 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 4JUC | Download | Experimental | e4jucC5 e4jucA4 e4jucA5 e4jucD5 e4jucB3 e4jucC4 e4jucA4 e4jucA5 e4jucD4 e4jucB2 | 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 |