PDB ligand accession: MPD
DrugBank: DB03564
PubChem:
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Alcohols and polyols
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 2F18 | Download | Experimental | e2f18A3 | TIM beta/alpha-barrel | LigPlot |
| 3BUI | Download | Experimental | e3buiA4 | Glycosyl hydrolase domain-like | LigPlot |
| 3BVX | Download | Experimental | e3bvxA2 | immunoglobulin/albumin-binding domain-like | LigPlot |
| 3CV5 | Download | Experimental | e3cv5A3 | TIM beta/alpha-barrel | LigPlot |
| 1QX1 | Download | Experimental | e1qx1A3 | TIM beta/alpha-barrel | LigPlot |
| 2F7R | Download | Experimental | e2f7rA3 | TIM beta/alpha-barrel | LigPlot |
| 2FYV | Download | Experimental | e2fyvA3 | TIM beta/alpha-barrel | LigPlot |
| 2ALW | Download | Experimental | e2alwA3 | TIM beta/alpha-barrel | LigPlot |
| 3D50 | Download | Experimental | e3d50A3 | TIM beta/alpha-barrel | LigPlot |
| 3BVW | Download | Experimental | e3bvwA2 | immunoglobulin/albumin-binding domain-like | LigPlot |
| 2F1B | Download | Experimental | e2f1bA3 | TIM beta/alpha-barrel | LigPlot |
| 3D4Y | Download | Experimental | e3d4yA6 | Glycosyl hydrolase domain-like | LigPlot |
| 3DX0 | Download | Experimental | e3dx0A3 | TIM beta/alpha-barrel | LigPlot |
| 3BUP | Download | Experimental | e3bupA3 | TIM beta/alpha-barrel | LigPlot |
| 1QWN | Download | Experimental | e1qwnA6 | TIM beta/alpha-barrel | LigPlot |
| 1QWU | Download | Experimental | e1qwuA3 | TIM beta/alpha-barrel | LigPlot |
| 3DX2 | Download | Experimental | e3dx2A4 e3dx2A1 | Glycosyl hydrolase domain-like immunoglobulin/albumin-binding domain-like | LigPlot |
| 2F7O | Download | Experimental | e2f7oA3 | TIM beta/alpha-barrel | LigPlot |
| 1R34 | Download | Experimental | e1r34A3 | TIM beta/alpha-barrel | LigPlot |
| 2F7Q | Download | Experimental | e2f7qA3 | TIM beta/alpha-barrel | LigPlot |
| 3CZS | Download | Experimental | e3czsA3 | TIM beta/alpha-barrel | LigPlot |
| 3BUD | Download | Experimental | e3budA3 | TIM beta/alpha-barrel | LigPlot |
| 3BUQ | Download | Experimental | e3buqA3 | TIM beta/alpha-barrel | LigPlot |
| 2F1A | Download | Experimental | e2f1aA3 | TIM beta/alpha-barrel | LigPlot |
| 3BVV | Download | Experimental | e3bvvA4 | Glycosyl hydrolase domain-like | LigPlot |
| 3BUB | Download | Experimental | e3bubA4 | Glycosyl hydrolase domain-like | LigPlot |
| 2F7P | Download | Experimental | e2f7pA3 | TIM beta/alpha-barrel | LigPlot |
| 3DDF | Download | Experimental | e3ddfA2 | immunoglobulin/albumin-binding domain-like | LigPlot |
| 1R33 | Download | Experimental | e1r33A3 | TIM beta/alpha-barrel | LigPlot |
| 3BVT | Download | Experimental | e3bvtA3 | TIM beta/alpha-barrel | LigPlot |