PDB ligand accession: BX1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FFHSQDAETWTILU-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Piperidinecarboxylic acids and derivatives
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2XKF | Download | Experimental | e2xkfA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |