PDB ligand accession: XJ1
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: GPICQYUBSFLTRN-OIQFLZLASA-N
SMILES: c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)C=CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Cinnamic acids
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2XJ1 | Download | Experimental | e2xj1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |