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 |
---|---|---|---|---|---|
5WCQ | Download | Experimental | e5wcqA1 e5wcqA1 e5wcqG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5WCP | Download | Experimental | e5wcpA1 e5wcpG1 e5wcpG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5WJ0 | Download | Experimental | e5wj0A1 e5wj0G1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5WCW | Download | Experimental | e5wcwA1 e5wcwG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5W6B | Download | Experimental | e5w6bA1 e5w6bG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
4XAF | Download | Experimental | e4xafA1 e4xafG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |