PDB ligand accession: BHI
DrugBank: DB04170
PubChem:
ChEMBL:
InChI Key: YKAYCWPQDPILSA-RXMQYKEDSA-N
SMILES: CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organic oxoanionic compounds
- Subclass: Organic pyrophosphates
- Class: Organic oxoanionic compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1PPV | Download | Experimental | e1ppvA1 e1ppvB1 | beta-Grasp beta-Grasp | LigPlot |
1Q54 | Download | Experimental | e1q54A1 e1q54B1 | beta-Grasp beta-Grasp | LigPlot |