PDB ligand accession: PEP
DrugBank: DB01819
PubChem: 1005;58114173;59658623;
ChEMBL:
InChI Key: DTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES: C=C(C(=O)O)OP(=O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Organic phosphoric acids and derivatives
- Subclass: Phosphate esters
- Class: Organic phosphoric acids and derivatives
- Superclass: Organic acids and derivatives
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 1JCY | Download | Experimental | e1jcyA1 e1jcyB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1LRQ | Download | Experimental | e1lrqA1 | TIM beta/alpha-barrel | LigPlot |
| 2NWS | Download | Experimental | e2nwsA1 e2nwsB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1T96 | Download | Experimental | e1t96A1 e1t96B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NXH | Download | Experimental | e2nxhA1 e2nxhB1 e2nxhC1 e2nxhD1 e2nxhE1 e2nxhF1 e2nxhG1 e2nxhH1 e2nxhI1 e2nxhJ1 e2nxhK1 e2nxhL1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NWR | Download | Experimental | e2nwrA1 e2nwrB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1FWW | Download | Experimental | e1fwwA1 e1fwwB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1FWN | Download | Experimental | e1fwnA1 e1fwnB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1FWT | Download | Experimental | e1fwtA1 e1fwtB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1FXQ | Download | Experimental | e1fxqA1 e1fxqB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NX3 | Download | Experimental | e2nx3A1 e2nx3B1 e2nx3C1 e2nx3E1 e2nx3F1 e2nx3G1 e2nx3H1 e2nx3I1 e2nx3J1 e2nx3K1 e2nx3L1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2A2I | Download | Experimental | e2a2iA1 e2a2iB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1T8X | Download | Experimental | e1t8xA1 e1t8xB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1FWS | Download | Experimental | e1fwsA1 e1fwsB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1ZHA | Download | Experimental | e1zhaA1 e1zhaB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2EF9 | Download | Experimental | e2ef9A1 e2ef9B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 1LRO | Download | Experimental | e1lroA1 e1lroB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NXI | Download | Experimental | e2nxiA1 e2nxiA1 e2nxiB1 e2nxiC1 e2nxiD1 e2nxiD1 e2nxiE1 e2nxiF1 e2nxiG1 e2nxiH1 e2nxiI1 e2nxiJ1 e2nxiJ1 e2nxiK1 e2nxiL1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2A21 | Download | Experimental | e2a21A1 e2a21B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NX1 | Download | Experimental | e2nx1A1 e2nx1B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2NXG | Download | Experimental | e2nxgA1 | TIM beta/alpha-barrel | LigPlot |
| 3E0I | Download | Experimental | e3e0iA1 e3e0iB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |