PDB ligand accession: 3QV
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IJQYTHQDUDCJEQ-UHFFFAOYSA-N
SMILES: c1cc2c(cc1O)OC(=O)C(=C2)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Hydroxycoumarins
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3U3M | Download | Experimental | e3u3mA1 | P-loop domains-like | LigPlot |
3U3O | Download | Experimental | e3u3oA1 | P-loop domains-like | LigPlot |
3QVV | Download | Experimental | e3qvvA1 e3qvvB1 | P-loop domains-like P-loop domains-like | LigPlot |