PDB ligand accession: EG7
DrugBank: DB18019
PubChem:
ChEMBL: n/a
InChI Key: YQQZZYYQTCPEAS-OYLFLEFRSA-N
SMILES: Cc1cc(n[nH]1)Nc2ccc(c(n2)CC3(CCN(C(C3)C)Cc4cccc(c4F)Cl)C(=O)O)F
Drug action: inhibitor
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 |
---|---|---|---|---|---|
6C2R | Download | Experimental | e6c2rA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |