PDB ligand accession: 1W1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: RDCJBIHDYIOWEV-CRAIPNDOSA-N
SMILES: c1cc(c(nc1)N2CCC3(C(C2)OC(=N3)N)c4ccc(cc4F)F)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4L7H | Download | Experimental | e4l7hA2 e4l7hA3 | cradle loop barrel cradle loop barrel | LigPlot |