PDB ligand accession: 4QA
DrugBank: n/a
PubChem: 58949967;136021259;
ChEMBL: n/a
InChI Key: KZMSAJWZLCSCQP-UHFFFAOYSA-N
SMILES: CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Benzylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ZPE | Download | Experimental | e4zpeA2 | cradle loop barrel | LigPlot |