PDB ligand accession: THK
DrugBank: DB08622
PubChem:
ChEMBL: n/a
InChI Key: KVDKNVPAAQKHKD-UHFFFAOYSA-N
SMILES: c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F
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 |
---|---|---|---|---|---|
2AID | Download | Experimental | e2aidB1 e2aidA1 | cradle loop barrel cradle loop barrel | LigPlot |
1AID | Download | Experimental | e1aidA1 e1aidB1 | cradle loop barrel cradle loop barrel | LigPlot |