PDB ligand accession: SIA
DrugBank: DB03721
PubChem:
ChEMBL:
InChI Key: SQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 2DQY | Download | Experimental | e2dqyA1 e2dqyB1 e2dqyB1 e2dqyC1 e2dqyA1 e2dqyC1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1YA4 | Download | Experimental | e1ya4B1 e1ya4A1 e1ya4B1 e1ya4C1 e1ya4A1 e1ya4C1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 2DR0 | Download | Experimental | e2dr0A1 e2dr0B1 e2dr0C1 e2dr0B1 e2dr0A1 e2dr0C1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1YAH | Download | Experimental | e1yahA1 e1yahC1 e1yahB1 e1yahC1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 2H7C | Download | Experimental | e2h7cF1 e2h7cD1 e2h7cE1 e2h7cD1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1MX5 | Download | Experimental | e1mx5A1 e1mx5B1 e1mx5B1 e1mx5C1 e1mx5F1 e1mx5D1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1MX1 | Download | Experimental | e1mx1A1 e1mx1B1 e1mx1B1 e1mx1C1 e1mx1D1 e1mx1E1 e1mx1F1 e1mx1E1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1YAJ | Download | Experimental | e1yajA1 e1yajC1 e1yajB1 e1yajC1 e1yajE1 e1yajD1 e1yajF1 e1yajE1 e1yajF1 e1yajD1 e1yajG1 e1yajH1 e1yajH1 e1yajI1 e1yajG1 e1yajI1 e1yajJ1 e1yajK1 e1yajL1 e1yajK1 e1yajL1 e1yajJ1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 2DQZ | Download | Experimental | e2dqzA1 e2dqzB1 e2dqzC1 e2dqzB1 e2dqzC1 e2dqzA1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
| 1YA8 | Download | Experimental | e1ya8A1 e1ya8B1 e1ya8B1 e1ya8C1 e1ya8A1 e1ya8C1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |