PDB ligand accession: AWS
DrugBank: n/a
PubChem: 3303369;5360361;
ChEMBL: n/a
InChI Key: MCRZGRPWUSQQLP-UHFFFAOYSA-N
SMILES: CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: None
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5Q1Q | Download | Experimental | e5q1qA1 | Metallo-hydrolase/oxidoreductase | LigPlot |