PDB ligand accession: IPA
DrugBank: DB02325
PubChem:
ChEMBL:
InChI Key: KFZMGEQAYNKOFK-UHFFFAOYSA-N
SMILES: CC(C)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 |
---|---|---|---|---|---|
6G3Z | Download | Experimental | e6g3zA1 e6g3zB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
6H2S | Download | Experimental | e6h2sA1 | TIM beta/alpha-barrel | LigPlot |
2YDA | Download | Experimental | e2ydaB1 | TIM beta/alpha-barrel | LigPlot |
6H2R | Download | Experimental | e6h2rA1 e6h2rA1 e6h2rB1 e6h2rC1 e6h2rD1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |