PDB ligand accession: C2D
DrugBank: DB07521
PubChem:
ChEMBL: n/a
InChI Key: YHTGPUXGIBWHPN-IKQMYLSPSA-N
SMILES: c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl
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 |
---|---|---|---|---|---|
2BXT | Download | Experimental | e2bxt.1 | cradle loop barrel | LigPlot |