PDB ligand accession: BZT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QVDZMCVSIVITGR-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiophenes
- Subclass: 1-benzothiophenes
- Class: Benzothiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1D3D | Download | Experimental | e1d3d.1 | cradle loop barrel | LigPlot |