PDB ligand accession: 3KE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VUTBCSIBPMXNCZ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O
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 |
---|---|---|---|---|---|
3KEC | Download | Experimental | e3kecA1 e3kecB1 | Zincin-like Zincin-like | LigPlot |