PDB ligand accession: BT1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZWXFJUPNUWRODU-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiophenes
- Subclass: 3-aroylthiophenes
- Class: Thiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1D3T | Download | Experimental | e1d3t.1 | cradle loop barrel | LigPlot |