PDB ligand accession: EGJ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GKVNGMCPNCGMBE-CBZJRKILSA-N
SMILES: CC1CC(CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O
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 |
---|---|---|---|---|---|
6C2T | Download | Experimental | e6c2tA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |