PDB ligand accession: I3P
DrugBank: DB03401
PubChem:
ChEMBL:
InChI Key: MMWCIQZXVOZEGG-XJTPDSDZSA-N
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
6DR0 | Download | Experimental | e6dr0A4 e6dr0A6 e6dr0B4 e6dr0B6 e6dr0C4 e6dr0C6 e6dr0D4 e6dr0D6 | Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil | LigPlot |
6DQS | Download | Experimental | e6dqsA4 e6dqsA6 e6dqsB4 e6dqsB6 e6dqsC4 e6dqsC6 e6dqsD4 e6dqsD6 | Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil | LigPlot |
6DQZ | Download | Experimental | e6dqzA4 e6dqzA6 e6dqzB4 e6dqzB6 e6dqzD4 e6dqzD6 e6dqzC4 e6dqzC6 | Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil Repetitive alpha hairpins beta-Trefoil | LigPlot |