PDB ligand accession: 4H9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MDFWUVGMSOBSKJ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(=O)n2c(ncn2)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4YQS | Download | Experimental | e4yqsA1 | alpha/beta knot | LigPlot |