PDB ligand accession: NHE
DrugBank: DB03309
PubChem: 66898;3852474;
ChEMBL: n/a
InChI Key: MKWKNSIESPFAQN-UHFFFAOYSA-N
SMILES: C1CCC(CC1)NCCS(=O)(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic nitrogen compounds
- Class: Organonitrogen compounds
- Subclass: Cyclohexylamines
- Class: Organonitrogen compounds
- Superclass: Organic nitrogen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 8ET4 | Download | Experimental | e8et4A1 e8et4A2 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 7U25 | Download | Experimental | e7u25A1 e7u25A2 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1YHZ | Download | Experimental | e1yhzA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 8ET5 | Download | Experimental | e8et5A1 e8et5A3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1YBH | Download | Experimental | e1ybhA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5K6T | Download | Experimental | e5k6tA1 e5k6tA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YHY | Download | Experimental | e1yhyA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 3EA4 | Download | Experimental | e3ea4A1 e3ea4A2 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 3E9Y | Download | Experimental | e3e9yA1 e3e9yA2 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YI1 | Download | Experimental | e1yi1A2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 7U1U | Download | Experimental | e7u1uA1 e7u1uA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1Z8N | Download | Experimental | e1z8nA2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5K6Q | Download | Experimental | e5k6qA1 e5k6qA2 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YI0 | Download | Experimental | e1yi0A2 | Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 7STQ | Download | Experimental | e7stqA1 e7stqA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5K6R | Download | Experimental | e5k6rA1 e5k6rA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7TZZ | Download | Experimental | e7tzzA1 e7tzzA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 7U1D | Download | Experimental | e7u1dA2 e7u1dA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |