PDB ligand accession: DBC
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: URSOFHABYVLXDS-QWWZWVQMSA-N
SMILES: C(C1C(OC(O1)O)CS)S
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Dioxolanes
- Subclass: 1,3-dioxolanes
- Class: Dioxolanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3I2H | Download | Experimental | e3i2hA1 e3i2hA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |
3I2G | Download | Experimental | e3i2gA1 e3i2gA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |
3I2K | Download | Experimental | e3i2kA1 e3i2kA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |
3IDA | Download | Experimental | e3idaA1 e3idaA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |
3I2I | Download | Experimental | e3i2iA1 e3i2iA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |
3I2F | Download | Experimental | e3i2fA1 e3i2fA2 | jelly-roll alpha/beta-Hydrolases | LigPlot |