PDB ligand accession: MRD
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-RXMQYKEDSA-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 |
|---|---|---|---|---|---|
| 1TQS | Download | Experimental | e1tqsA3 | TIM beta/alpha-barrel | LigPlot |
| 3BLB | Download | Experimental | e3blbA3 | TIM beta/alpha-barrel | LigPlot |
| 3BVU | Download | Experimental | e3bvuA3 | TIM beta/alpha-barrel | LigPlot |
| 3EJQ | Download | Experimental | e3ejqA2 | TIM beta/alpha-barrel | LigPlot |
| 1TQT | Download | Experimental | e1tqtA3 | TIM beta/alpha-barrel | LigPlot |
| 1TQU | Download | Experimental | e1tquA3 | TIM beta/alpha-barrel | LigPlot |
| 3DX3 | Download | Experimental | e3dx3A2 | TIM beta/alpha-barrel | LigPlot |
| 2OW7 | Download | Experimental | e2ow7A3 | TIM beta/alpha-barrel | LigPlot |
| 1HTY | Download | Experimental | e1htyA3 | TIM beta/alpha-barrel | LigPlot |
| 3D4Z | Download | Experimental | e3d4zA3 | TIM beta/alpha-barrel | LigPlot |
| 3BVV | Download | Experimental | e3bvvA3 | TIM beta/alpha-barrel | LigPlot |
| 3EJP | Download | Experimental | e3ejpA2 | TIM beta/alpha-barrel | LigPlot |
| 1TQV | Download | Experimental | e1tqvA3 | TIM beta/alpha-barrel | LigPlot |
| 3DX1 | Download | Experimental | e3dx1A2 | TIM beta/alpha-barrel | LigPlot |
| 3EJU | Download | Experimental | e3ejuA2 | TIM beta/alpha-barrel | LigPlot |
| 1HXK | Download | Experimental | e1hxkA3 | TIM beta/alpha-barrel | LigPlot |
| 1TQW | Download | Experimental | e1tqwA3 | TIM beta/alpha-barrel | LigPlot |
| 3DX2 | Download | Experimental | e3dx2A2 | TIM beta/alpha-barrel | LigPlot |
| 3DDF | Download | Experimental | e3ddfA3 | TIM beta/alpha-barrel | LigPlot |
| 3EJS | Download | Experimental | e3ejsA2 | TIM beta/alpha-barrel | LigPlot |
| 3D52 | Download | Experimental | e3d52A3 | TIM beta/alpha-barrel | LigPlot |
| 3EJR | Download | Experimental | e3ejrA2 | TIM beta/alpha-barrel | LigPlot |
| 1HWW | Download | Experimental | e1hwwA3 | TIM beta/alpha-barrel | LigPlot |
| 3D4Y | Download | Experimental | e3d4yA3 | TIM beta/alpha-barrel | LigPlot |
| 3EJT | Download | Experimental | e3ejtA2 | TIM beta/alpha-barrel | LigPlot |
| 3DDG | Download | Experimental | e3ddgA3 | TIM beta/alpha-barrel | LigPlot |
| 3DX4 | Download | Experimental | e3dx4A2 | TIM beta/alpha-barrel | LigPlot |
| 3BVT | Download | Experimental | e3bvtA3 | TIM beta/alpha-barrel | LigPlot |
| 2OW6 | Download | Experimental | e2ow6A3 | TIM beta/alpha-barrel | LigPlot |
| 1PS3 | Download | Experimental | e1ps3A3 | TIM beta/alpha-barrel | LigPlot |
| 3D51 | Download | Experimental | e3d51A3 | TIM beta/alpha-barrel | LigPlot |