PDB ligand accession: EPE
DrugBank: DB16872
PubChem: 23830;23831;3275884;
ChEMBL:
InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 4DVS | Download | Experimental | e4dvsA1 e4dvsB2 | gp120 inner domain gp120 inner domain | LigPlot |
| 6UTD | Download | Experimental | e6utdA2 | gp120 inner domain | LigPlot |
| 6ONF | Download | Experimental | e6onfA1 | gp120 inner domain | LigPlot |
| 5TE6 | Download | Experimental | e5te6G2 | Ribosomal protein L31e-like | LigPlot |
| 5UEM | Download | Experimental | e5uemG1 | Ribosomal protein L31e-like | LigPlot |
| 6P9N | Download | Experimental | e6p9nA1 | gp120 inner domain | LigPlot |
| 8DCQ | Download | Experimental | e8dcqA1 | gp120 inner domain | LigPlot |
| 8GD5 | Download | Experimental | e8gd5A2 | gp120 inner domain | LigPlot |
| 4S1S | Download | Experimental | e4s1sG2 | gp120 inner domain | LigPlot |
| 6UTB | Download | Experimental | e6utbA2 | gp120 inner domain | LigPlot |
| 6UT1 | Download | Experimental | e6ut1A1 | gp120 inner domain | LigPlot |
| 4DVW | Download | Experimental | e4dvwA1 e4dvwB2 | gp120 inner domain gp120 inner domain | LigPlot |
| 6OOO | Download | Experimental | e6oooA1 | gp120 inner domain | LigPlot |
| 6ONV | Download | Experimental | e6onvA1 | gp120 inner domain | LigPlot |
| 8GD1 | Download | Experimental | e8gd1A1 | gp120 inner domain | LigPlot |
| 7SX7 | Download | Experimental | e7sx7G1 e7sx7A2 | gp120 inner domain Ribosomal protein L31e-like | LigPlot |
| 6ONE | Download | Experimental | e6oneA2 | gp120 inner domain | LigPlot |
| 8GJT | Download | Experimental | e8gjtA2 | gp120 inner domain | LigPlot |
| 8GCZ | Download | Experimental | e8gczA2 | gp120 inner domain | LigPlot |
| 4DVX | Download | Experimental | e4dvxA1 e4dvxB2 | gp120 inner domain gp120 inner domain | LigPlot |
| 8GD3 | Download | Experimental | e8gd3A1 | gp120 inner domain | LigPlot |
| 4DVV | Download | Experimental | e4dvvA2 e4dvvB1 | gp120 inner domain gp120 inner domain | LigPlot |
| 8GD0 | Download | Experimental | e8gd0A2 | gp120 inner domain | LigPlot |
| 6ONH | Download | Experimental | e6onhA1 | gp120 inner domain | LigPlot |
| 4DVT | Download | Experimental | e4dvtA1 e4dvtB2 | gp120 inner domain gp120 inner domain | LigPlot |
| 6USW | Download | Experimental | e6uswA1 | gp120 inner domain | LigPlot |
| 5F9O | Download | Experimental | e5f9oG1 | Ribosomal protein L31e-like | LigPlot |
| 5U6E | Download | Experimental | e5u6eA1 e5u6eB1 | gp120 inner domain gp120 inner domain | LigPlot |
| 5F96 | Download | Experimental | e5f96G2 | gp120 inner domain | LigPlot |