PDB ligand accession: MOA
DrugBank: DB01024
PubChem:
ChEMBL:
InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N
SMILES: Cc1c2c(c(c(c1OC)CC=C(C)CCC(=O)O)O)C(=O)OC2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isocoumarans
- Subclass: Isobenzofuranones
- Class: Isocoumarans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1ME7 | Download | Experimental | e1me7A1 | TIM beta/alpha-barrel | LigPlot |
1MEI | Download | Experimental | e1meiA1 | TIM beta/alpha-barrel | LigPlot |
1MEH | Download | Experimental | e1mehA1 | TIM beta/alpha-barrel | LigPlot |